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Pyridines and derivatives

Aromatic organic compounds consist of an aromatic six-membered ring containing one nitrogen atom and five carbon atoms; includes compounds derived from pyridines.

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1

Nicotinic acid, specified according to the requirements of Ph. Eur, Thermo Scientific Chemicals

CAS: 59-67-6 Molecular Formula: C6H5NO2 Molecular Weight (g/mol): 123.11 MDL Number: MFCD00006391 InChI Key: PVNIIMVLHYAWGP-UHFFFAOYSA-N Synonym: nicotinic acid,niacin,3-pyridinecarboxylic acid,3-carboxypyridine,wampocap,acidum nicotinicum,apelagrin,pellagrin,akotin,daskil PubChem CID: 938 ChEBI: CHEBI:15940 IUPAC Name: pyridine-3-carboxylic acid SMILES: OC(=O)C1=CC=CN=C1

EDGE
PubChem CID 938
CAS 59-67-6
Molecular Weight (g/mol) 123.11
ChEBI CHEBI:15940
MDL Number MFCD00006391
SMILES OC(=O)C1=CC=CN=C1
Synonym nicotinic acid,niacin,3-pyridinecarboxylic acid,3-carboxypyridine,wampocap,acidum nicotinicum,apelagrin,pellagrin,akotin,daskil
IUPAC Name pyridine-3-carboxylic acid
InChI Key PVNIIMVLHYAWGP-UHFFFAOYSA-N
Molecular Formula C6H5NO2
2

4,4'-Dimethyl-2,2'-bipyridine, 98%

CAS: 1134-35-6 Molecular Formula: C12H12N2 Molecular Weight (g/mol): 184.242 MDL Number: MFCD00006441 InChI Key: NBPGPQJFYXNFKN-UHFFFAOYSA-N Synonym: 4,4'-dimethyl-2,2'-bipyridine,4,4'-dimethyl-2,2'-bipyridyl,4,4'-dimethyl-2,2'-dipyridyl,2,2'-bi-4-picoline,2,2'-bipyridine, 4,4'-dimethyl,2,2'-bi gamma-picoline,2,2'-di-4-picolyl,4-methyl-2-4-methylpyridin-2-yl pyridine,2,2'-bipyridyl, 4,4'-dimethyl,4,4-dimethyl-2,2-bipyridyl PubChem CID: 14338 IUPAC Name: 4-methyl-2-(4-methylpyridin-2-yl)pyridine SMILES: CC1=CC(=NC=C1)C2=NC=CC(=C2)C

PubChem CID 14338
CAS 1134-35-6
Molecular Weight (g/mol) 184.242
MDL Number MFCD00006441
SMILES CC1=CC(=NC=C1)C2=NC=CC(=C2)C
Synonym 4,4'-dimethyl-2,2'-bipyridine,4,4'-dimethyl-2,2'-bipyridyl,4,4'-dimethyl-2,2'-dipyridyl,2,2'-bi-4-picoline,2,2'-bipyridine, 4,4'-dimethyl,2,2'-bi gamma-picoline,2,2'-di-4-picolyl,4-methyl-2-4-methylpyridin-2-yl pyridine,2,2'-bipyridyl, 4,4'-dimethyl,4,4-dimethyl-2,2-bipyridyl
IUPAC Name 4-methyl-2-(4-methylpyridin-2-yl)pyridine
InChI Key NBPGPQJFYXNFKN-UHFFFAOYSA-N
Molecular Formula C12H12N2
3

Palbociclib, MedChemExpress

MedChemExpress Palbociclib (PD 0332991) is an orally active selective CDK4 and CDK6 inhibitor with IC50 values of 11 and 16 nM, respectively. Palbociclib has potent anti-proliferative activity and induces cell cycle arrest in cancer cells, which can be used in the research of HR-positive and HER2-negative breast cancer and hepatocellular carcinoma.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 447.53
Color Yellow
Physical Form Solid
Chemical Name or Material Palbociclib
Grade Research
SMILES O=C1C(C(C)=O)=C(C2=CN=C(N=C2N1C3CCCC3)NC4=CC=C(N5CCNCC5)C=N4)C
For Use With (Application) Cancer-Kinase/protease
Percent Purity 95.0%
CAS 571190-30-2
Solubility Information DMSO : 25 mg/mL (55.86 mM; ultrasonic and warming and adjust pH to 5 with HCl and heat to 60°C) ∣0.1 M HCL : 25 mg/mL (55.86 mM; ultrasonic and adjust pH to 4 with 0.1 M HCL) ∣H2O : 0.1 mg/mL (0.22 mM; Need ultrasonic)
Synonym PD 0332991
Purity Grade Notes Research
Recommended Storage Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Shelf Life Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Molecular Formula C24H29N7O2
Formula Weight 447.53
4

AZD0156, MedChemExpress

MedChemExpress AZD0156 is a potent, selective and orally active ATM inhibitor with an IC50 of 0.58 nM. AZD0156 inhibits the ATM-mediated signaling, prevents DNA damage checkpoint activation, disrupts DNA damage repair, and induces tumor cell apoptosis.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 461.56
Color Off-White
Physical Form Solid
Chemical Name or Material AZD0156
Grade Research
SMILES O=C(N1C2CCOCC2)N(C)C3=C1C4=CC(C5=CC=C(OCCCN(C)C)N=C5)=CC=C4N=C3
For Use With (Application) Cancer-Kinase/protease
Percent Purity 99.62%
CAS 1821428-35-6
Solubility Information DMSO : 20 mg/mL (43.33 mM; ultrasonic and adjust pH to 3 with HCl)
Purity Grade Notes Research
Recommended Storage Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Shelf Life Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Molecular Formula C26H31N5O3
Formula Weight 461.56
5

TAK-659 hydrochloride, MedChemExpress

MedChemExpress TAK-659 hydrochloride is a highly potent, selective, reversible and orally available dual inhibitor of spleen tyrosine kinase (SYK) and fms related tyrosine kinase 3 (FLT3), with an IC50 of 3.2 nM and 4.6 nM for SYK and FLT3, respectively. TAK-659 hydrochloride induces cell death in tumor cells but not in nontumor cells, and with potential for the treatment of chronic lymphocytic leukemia (CLL).

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 380.85
Color White
Physical Form Solid
Chemical Name or Material TAK-659 hydrochloride
Grade Research
SMILES FC1=C(N[C@@H]2CCCC[C@@H]2N)N=C(C3=CN(C)N=C3)C4=C1CNC4=O.Cl
For Use With (Application) Cancer-Kinase/protease
Percent Purity 98.13%
CAS 1952251-28-3
Solubility Information H2O : 2 mg/mL (5.25 mM; ultrasonic and adjust pH to 3 with HCl) ∣DMSO : < 1 mg/mL (insoluble or slightly soluble)
Purity Grade Notes Research
Recommended Storage 4°C, stored under nitrogen∣In solvent : -80°C, 6 months∣-20°C, 1 month (stored under nitrogen)
Shelf Life 4°C, stored under nitrogen∣In solvent : -80°C, 6 months∣-20°C, 1 month (stored under nitrogen)
Molecular Formula C17H22ClFN6O
Formula Weight 380.85
6

PIK-90, MedChemExpress

MedChemExpress PIK-90 is a DNA-PK and PI3K inhibitor, which inhibits p110α, p110γ and DNA-PK with IC50s of 11, 18 and 13 nM, respectively.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 351.36
Color Off-White
Physical Form Solid
Chemical Name or Material PIK-90
Grade Research
SMILES O=C(NC1=NC2=C(C3=NCCN13)C=CC(OC)=C2OC)C4=CC=CN=C4
For Use With (Application) Cancer-Kinase/protease
Percent Purity 99.41%
CAS 677338-12-4
Solubility Information DMSO : 6.67 mg/mL (18.98 mM; ultrasonic and adjust pH to 2 with HCl)
Purity Grade Notes Research
Recommended Storage Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Shelf Life Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Molecular Formula C18H17N5O3
Formula Weight 351.36
7

Pyrotinib, MedChemExpress

MedChemExpress Pyrotinib (SHR-1258) is a potent and selective EGFR/HER2 dual inhibitor with IC50s of 13 and 38 nM, respectively.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 583.08
Color Yellow
Physical Form Solid
Chemical Name or Material Pyrotinib
Grade Research
SMILES O=C(NC1=C(OCC)C=C2N=CC(C#N)=C(NC3=CC=C(OCC4=NC=CC=C4)C(Cl)=C3)C2=C1)/C=C/[C@@H]5N(C)CCC5
For Use With (Application) Cancer-Kinase/protease
Percent Purity 98.84%
CAS 1269662-73-8
Solubility Information DMSO : 10 mg/mL (17.15 mM; ultrasonic and adjust pH to 6 with HCl)
Synonym SHR-1258
Purity Grade Notes Research
Recommended Storage Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Shelf Life Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Molecular Formula C32H31ClN6O3
Formula Weight 583.08
8

BOS-172722, MedChemExpress

MedChemExpress BOS-172722 is an inhibitor of monopolar spindle 1 (MPS1) checkpoint with an IC50 of 11 nM and 63 nM for MPS1 (1 mM ATP) and P-MPS1, respectively. BOS-172722 also has potential for the study of various forms of breast cancer.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 446.55
Color Yellow
Physical Form Solid
Chemical Name or Material BOS-172722
Grade Research
SMILES CC1=CC2=CN=C(NC3=CC=C(C4=NN=CN4C)C=C3OCC)N=C2C(NCC(C)(C)C)=N1
For Use With (Application) Cancer-programmed cell death
Percent Purity 99.44%
CAS 1578245-44-9
Solubility Information 1M HCl : 65 mg/mL (145.56 mM; ultrasonic and adjust pH to 2 with HCl) ∣DMSO : 5 mg/mL (11.20 mM; Need ultrasonic)
Purity Grade Notes Research
Recommended Storage Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Shelf Life Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Molecular Formula C24H30N8O
Formula Weight 446.55
9

Lys05, MedChemExpress

MedChemExpress Lys05 (Lys01 trihydrochloride) is a novel lysosomal autophagy inhibitor with IC50 values of 3.6, 3.8, 6 and 7.9 μM for 1205Lu, c8161, LN229 and HT-29 cell line in the MTT assay.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 549.75
Color Light Brown
Physical Form Solid
Chemical Name or Material Lys05
Grade Research
SMILES CN(CCNC1=CC=NC2=C1C=CC(Cl)=C2)CCNC3=CC=NC4=CC(Cl)=CC=C43.[H]Cl.[H]Cl.[H]Cl
For Use With (Application) Cancer-programmed cell death
Percent Purity 98.0%
CAS 1391426-24-6
Solubility Information DMSO : 25 mg/mL (45.48 mM; ultrasonic and adjust pH to 2 with HCl) ∣H2O : 6.4 mg/mL (11.64 mM; Need ultrasonic)
Synonym Lys01 trihydrochloride
Purity Grade Notes Research
Recommended Storage 4°C, sealed storage, away from moisture∣In solvent : -80°C, 6 months∣-20°C, 1 month (sealed storage, away from moisture)
Shelf Life 4°C, sealed storage, away from moisture∣In solvent : -80°C, 6 months∣-20°C, 1 month (sealed storage, away from moisture)
Molecular Formula C23H26Cl5N5
Formula Weight 549.75
10

SB-334867 free base, MedChemExpress

MedChemExpress SB-334867 free base (SB334867A free base) is an excellent, selective and blood-brain barrier permeable orexin-1 (OX1) receptor antagonist, shows selectivity over OX2 (pKb=7.4), 100-fold over 5-HT2B, 5-HT2C with pKi values of 5.4 and 5.3, respectively. SB-334867 reduces ethanol consumption and inhibits the acquisition of morphine-induced sensitization to locomotor activity in vivo.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 319.32
Color White
Physical Form Solid
Chemical Name or Material SB-334867 free base
Grade Research
SMILES O=C(NC1=CC(OC(C)=N2)=C2C=C1)NC3=CC=NC4=CC=CN=C43
For Use With (Application) Neuroscience-Neuromodulation
Percent Purity 99.33%
CAS 792173-99-0
Solubility Information DMSO : 50 mg/mL (156.58 mM; Need ultrasonic) ∣0.1 M HCL : 6 mg/mL (18.79 mM; ultrasonic and adjust pH to 3 with HCl)
Health Hazard 1 H315
Synonym SB334867A free base
Purity Grade Notes Research
Recommended Storage Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Shelf Life Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Molecular Formula C17H13N5O2
Formula Weight 319.32
12

Harmine, 98+%

CAS: 442-51-3 Molecular Formula: C13H12N2O Molecular Weight (g/mol): 212.25 MDL Number: MFCD00004958 InChI Key: BXNJHAXVSOCGBA-UHFFFAOYSA-N Synonym: harmine,7-methoxy-1-methyl-9h-pyrido 3,4-b indole,banisterine,leucoharmine,telepathine,yageine,yajeine,7-methoxy-1-methyl-9h-beta-carboline,9h-pyrido 3,4-b indole, 7-methoxy-1-methyl,banisterin PubChem CID: 5280953 ChEBI: CHEBI:28121 IUPAC Name: 7-methoxy-1-methyl-9H-pyrido[3,4-b]indole SMILES: COC1=CC2=C(C=C1)C1=C(N2)C(C)=NC=C1

PubChem CID 5280953
CAS 442-51-3
Molecular Weight (g/mol) 212.25
ChEBI CHEBI:28121
MDL Number MFCD00004958
SMILES COC1=CC2=C(C=C1)C1=C(N2)C(C)=NC=C1
Synonym harmine,7-methoxy-1-methyl-9h-pyrido 3,4-b indole,banisterine,leucoharmine,telepathine,yageine,yajeine,7-methoxy-1-methyl-9h-beta-carboline,9h-pyrido 3,4-b indole, 7-methoxy-1-methyl,banisterin
IUPAC Name 7-methoxy-1-methyl-9H-pyrido[3,4-b]indole
InChI Key BXNJHAXVSOCGBA-UHFFFAOYSA-N
Molecular Formula C13H12N2O