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CCT241533 dihydrochloride

CAT: 0931-T36704Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T36704Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1962925-28-5
Target
Others, Chk
Related Pathways
Others, Cell Cycle/Checkpoint
Bioactivity
Potent Chk2 inhibitor (IC50 = 3 nM) . Shows >63-fold selectivity for Chk1 over Chk2 and a panel of 84 other kinases. Inhibits Chk2 activation in response to etoposide-induced DNA damage in HT29 cells. Blocks ionizing radiation-induced apoptosis of mouse thymocytes.
Smiles
Cl.Cl.COc1cc2nc(nc(N[C@@H]3CNC[C@H]3C(C)(C)O)c2cc1OC)-c1cc(F)ccc1O
Molecular Formula
C23H29Cl2FN4O4
Molecular Weight
515.41
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CCT241533 (dihydrochloride)
CAS Number1962925-28-5
PubChem CID137025388
IUPAC Name4-fluoro-2-[4-[[(3S,4R)-4-(2-hydroxypropan-2-yl)pyrrolidin-3-yl]amino]-6,7-dimethoxyquinazolin-2-yl]phenol;dihydrochloride
Molecular FormulaC23H29Cl2FN4O4
Molecular Weight515.4
Topological Polar Surface Area109
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count34
Formal Charge0
Complexity629
SMILES
CC(C)([C@@H]1CNC[C@H]1NC2=NC(=NC3=CC(=C(C=C32)OC)OC)C4=C(C=CC(=C4)F)O)O.Cl.Cl
InChI
InChI=1S/C23H27FN4O4.2ClH/c1-23(2,30)15-10-25-11-17(15)27-21-13-8-19(31-3)20(32-4)9-16(13)26-22(28-21)14-7-12(24)5-6-18(14)29;;/h5-9,15,17,25,29-30H,10-11H2,1-4H3,(H,26,27,28);2*1H/t15-,17-;;/m1../s1
InChIKey
VCFVLTMSBOZYOU-FXKISCCRSA-N
Chemical Structure
2D Structure
2D structure of CCT241533 (dihydrochloride)
CAS: 1962925-28-5
CID: 137025388
Formula: C23H29Cl2FN4O4
MW: 515.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight515.4
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass514.1549890
Monoisotopic Mass514.1549890
Topological Polar Surface Area109 Ų
Heavy Atom Count34
Formal Charge0
Complexity629
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
GTR19191217CCT241533 dihydrochloride
HY-110331CCT241533 (dihydrochloride)
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E1653-1mgCCT241533 hydrochloride

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