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AZD4573

CAT: 0572-TRC-A808275-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A808275-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2057509-72-3
Synonyms
AZD4573
Hazard Statement
No Data Available
Smiles
O=C([C@@H]1C[C@H](NC(C)=O)CCC1)NC2=NC=C(Cl)C(C3=C(CC(C)(C)C4)N4N=C3)=C2
Molecular Formula
C22H28ClN5O2
Molecular Weight
429.94
InChI
InChI=1S/C22H28ClN5O2/c1-13(29)26-15-6-4-5-14(7-15)21(30)27-20-8-16(18(23)11-24-20)17-10-25-28-12-22(2,3)9-19(17)28/h8,10-11,14-15H,4-7,9,12H2,1-3H3,(H,26,29)(H,24,27,30)/t14-,15+/m0/s1
Additionnal Information
IUPAC name: (1S,3R)-3-acetamido-N-[5-chloro-4-(5,5-dimethyl-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl)-2-pyridyl]cyclohexanecarboxamide

Chemical Information

Azd-4573

AZD4573 is a potent and highly selective CDK9 inhibitor (IC50 of less than 4 nM) that enables transient target engagement for the treatment of hematologic malignancies.

CAS Number2057509-72-3
PubChem CID124155204
IUPAC Namecis-(1S,3R)-3-acetamido-N-[5-chloro-4-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-pyridinyl]cyclohexane-1-carboxamide
Molecular FormulaC22H28ClN5O2
Molecular Weight429.9
XLogP2.7
Topological Polar Surface Area88.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity659
SMILES
CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)NC2=NC=C(C(=C2)C3=C4CC(CN4N=C3)(C)C)Cl
InChI
InChI=1S/C22H28ClN5O2/c1-13(29)26-15-6-4-5-14(7-15)21(30)27-20-8-16(18(23)11-24-20)17-10-25-28-12-22(2,3)9-19(17)28/h8,10-11,14-15H,4-7,9,12H2,1-3H3,(H,26,29)(H,24,27,30)/t14-,15+/m0/s1
InChIKey
AVIWDYSJSPOOAR-LSDHHAIUSA-N
Chemical Structure
2D Structure
2D structure of Azd-4573
CAS: 2057509-72-3
CID: 124155204
Formula: C22H28ClN5O2
MW: 429.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight429.9
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass429.1931528
Monoisotopic Mass429.1931528
Topological Polar Surface Area88.9 Ų
Heavy Atom Count30
Formal Charge0
Complexity659
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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