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BIIB021

CAT: 1410-M16162-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1410-M16162-03Size:10 mg
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Description
A potent, selective, orally available HSP90 inhibitor with Ki of 1.7 nM for Hsp90α.
CAS Number
848695-25-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
318.7615
Molecular Formula
C14H15ClN6O
Notes
Research use only, not for human use.
Receptor
HSP90

Chemical Information

(6-Chloro-9-(4-methoxy-3,5-dimethylpyridin-2-ylmethyl)-9H-purin-2-yl)amine

BIIB021 is a member of the class of 2-aminopurines that is 2-aminopurine which is substituted by a chlorine at position 6 and by a (4-methoxy-3,5-dimethylpyridin-2-yl)methyl group at position 9. It has a role as an antineoplastic agent and a Hsp90 inhibitor. It is a member of 2-aminopurines, a member of pyridines, an aromatic ether and an organochlorine compound.

CAS Number848695-25-0
PubChem CID16736529
IUPAC Name6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine
Molecular FormulaC14H15ClN6O
Molecular Weight318.76
XLogP1.9
Topological Polar Surface Area91.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity388
SMILES
CC1=CN=C(C(=C1OC)C)CN2C=NC3=C2N=C(N=C3Cl)N
InChI
InChI=1S/C14H15ClN6O/c1-7-4-17-9(8(2)11(7)22-3)5-21-6-18-10-12(15)19-14(16)20-13(10)21/h4,6H,5H2,1-3H3,(H2,16,19,20)
InChIKey
QULDDKSCVCJTPV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (6-Chloro-9-(4-methoxy-3,5-dimethylpyridin-2-ylmethyl)-9H-purin-2-yl)amine
CAS: 848695-25-0
CID: 16736529
Formula: C14H15ClN6O
MW: 318.76
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight318.76
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass318.0995868
Monoisotopic Mass318.0995868
Topological Polar Surface Area91.7 Ų
Heavy Atom Count22
Formal Charge0
Complexity388
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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