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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
Loading 3D structure...
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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