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CC-930 (Tanzisertib) 50mg

CAT: 0628-A13564-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A13564-50Size:50 mg
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CAS Number
899805-25-5

Chemical Information

CC-930

Tanzisertib has been used in trials studying the treatment of Fibrosis, Discoid Lupus, Pulmonary Fibrosis, Interstitial Lung Disease, and Lung Diseases, Interstitial, among others.

CAS Number899805-25-5
PubChem CID11597537
IUPAC Name4-[[9-[(3S)-oxolan-3-yl]-8-(2,4,6-trifluoroanilino)purin-2-yl]amino]cyclohexan-1-ol
Molecular FormulaC21H23F3N6O2
Molecular Weight448.4
XLogP3.1
Topological Polar Surface Area97.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity618
SMILES
C1COC[C@H]1N2C3=NC(=NC=C3N=C2NC4=C(C=C(C=C4F)F)F)NC5CCC(CC5)O
InChI
InChI=1S/C21H23F3N6O2/c22-11-7-15(23)18(16(24)8-11)28-21-27-17-9-25-20(26-12-1-3-14(31)4-2-12)29-19(17)30(21)13-5-6-32-10-13/h7-9,12-14,31H,1-6,10H2,(H,27,28)(H,25,26,29)/t12?,13-,14?/m0/s1
InChIKey
IBGLGMOPHJQDJB-MOKVOYLWSA-N
Chemical Structure
2D Structure
2D structure of CC-930
CAS: 899805-25-5
CID: 11597537
Formula: C21H23F3N6O2
MW: 448.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight448.4
XLogP33.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass448.18345848
Monoisotopic Mass448.18345848
Topological Polar Surface Area97.1 Ų
Heavy Atom Count32
Formal Charge0
Complexity618
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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Alternative Products

CatalogName
MBS386267-01CC-930 (Tanzisertib)
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C13446-01Tanzisertib HCl (CC-930)
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