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HSP990

CAT: 1410-M17671-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M17671-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
NVP-HSP990 (HSP990) is an effective and specific HSP90α/β inhibitor (IC50: 0.6 /0.8 nM) .
CAS Number
934343-74-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
379.39
Molecular Formula
C20H18FN5O2
Notes
Research use only, not for human use.
Receptor
HSP90α| HSP90β

Chemical Information

Hsp-990
CAS Number934343-74-5
PubChem CID46216556
IUPAC Name(7R)-2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
Molecular FormulaC20H18FN5O2
Molecular Weight379.4
XLogP2.1
Topological Polar Surface Area103
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity567
SMILES
CC1=C2C(=NC(=N1)N)C[C@@H](NC2=O)C3=C(C=C(C=C3)F)C4=NC(=CC=C4)OC
InChI
InChI=1S/C20H18FN5O2/c1-10-18-16(26-20(22)23-10)9-15(25-19(18)27)12-7-6-11(21)8-13(12)14-4-3-5-17(24-14)28-2/h3-8,15H,9H2,1-2H3,(H,25,27)(H2,22,23,26)/t15-/m1/s1
InChIKey
WSMQUUGTQYPVPD-OAHLLOKOSA-N
Chemical Structure
2D Structure
2D structure of Hsp-990
CAS: 934343-74-5
CID: 46216556
Formula: C20H18FN5O2
MW: 379.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight379.4
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass379.14445300
Monoisotopic Mass379.14445300
Topological Polar Surface Area103 Ų
Heavy Atom Count28
Formal Charge0
Complexity567
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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