AZ5

5-CHLORO-N2-[(1S)-1-(5-FLUOROPYRIMIDIN-2-YL)ETHYL]-N4-(5-METHYL-1H-PYRAZOL-3-YL)PYRIMIDINE-2,4-DIAMINE

Created:	2010-03-26
Last modified:	2011-06-04

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1 entries where AZ5 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	1
Bond Count	40
Aromatic Bond Count	17

2D diagram of AZ5

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Chemical Component Summary
Name	5-CHLORO-N2-[(1S)-1-(5-FLUOROPYRIMIDIN-2-YL)ETHYL]-N4-(5-METHYL-1H-PYRAZOL-3-YL)PYRIMIDINE-2,4-DIAMINE
Systematic Name (OpenEye OEToolkits)	5-chloro-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-N'-(5-methyl-2H-pyrazol-3-yl)pyrimidine-2,4-diamine
Formula	C₁₄ H₁₄ Cl F N₈
Molecular Weight	348.766
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Fc1cnc(nc1)C(Nc3nc(Nc2cc(nn2)C)c(Cl)cn3)C
SMILES	CACTVS	3.352	C[CH](Nc1ncc(Cl)c(Nc2[nH]nc(C)c2)n1)c3ncc(F)cn3
SMILES	OpenEye OEToolkits	1.6.1	Cc1cc([nH]n1)Nc2c(cnc(n2)NC(C)c3ncc(cn3)F)Cl
Canonical SMILES	CACTVS	3.352	C[C@H](Nc1ncc(Cl)c(Nc2[nH]nc(C)c2)n1)c3ncc(F)cn3
Canonical SMILES	OpenEye OEToolkits	1.6.1	Cc1cc([nH]n1)Nc2c(cnc(n2)N[C@@H](C)c3ncc(cn3)F)Cl
InChI	InChI	1.03	InChI=1S/C14H14ClFN8/c1-7-3-11(24-23-7)21-13-10(15)6-19-14(22-13)20-8(2)12-17-4-9(16)5-18-12/h3-6,8H,1-2H3,(H3,19,20,21,22,23,24)/t8-/m0/s1
InChIKey	InChI	1.03	PDOQBOJDRPLBQU-QMMMGPOBSA-N

Drug Info: DrugBank

DrugBank ID	DB12588
Name	AZD-1480
Groups	investigational
Description	AZD1480 has been used in trials studying the treatment of Solid Malignancies, Post-Polycythaemia Vera, Primary Myelofibrosis (PMF), and Essential Thrombocythaemia Myelofibrosis.
Synonyms	AZD-1480
Categories	Janus Kinase 2, antagonists & inhibitors Janus Kinases, antagonists & inhibitors
CAS number	935666-88-9

Related Resource References

Resource Name	Reference
Pharos	CHEMBL1231124
PubChem	16659841
ChEMBL	CHEMBL1231124

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.