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Samuraciclib (ICEC0942) hydrochloride

CAT: 1568-C13616-10mM/1mLSize: 10 mm/ 1 mLDry Ice: NoHazardous: No
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CAT#:1568-C13616-10mM/1mLSize:10 mm/ 1 mL
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1805789-54-1
Synonyms
CT7001 hydrochloride
Target
CDK
Applications
Cell Cycle
Smiles
CC (C) C1=C2N=C (C=C (N2N=C1) NCC3=CC=CC=C3) NCC4CCNCC4O.Cl
Molecular Formula
C22H31ClN6O
Additionnal Information
Samuraciclib (ICEC0942) hydrochloride is a new, orally bioavailable CDK7 inhibitor with an IC50 of 40nM. The IC50 values for CDK1, CDK2, CDK5 and CDK9 were 45-, 15-, 230- and 30-fold higher. ICEC0942 (CT7001) promotes cell cycle arrest and apoptosis.
Storage Conditions
3 years -20°C powder

Chemical Information

CT7001 hydrochloride
CAS Number1805789-54-1
PubChem CID91844732
IUPAC Name(3R,4R)-4-[[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;hydrochloride
Molecular FormulaC22H31ClN6O
Molecular Weight431.0
Topological Polar Surface Area86.5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity500
SMILES
CC(C)C1=C2N=C(C=C(N2N=C1)NCC3=CC=CC=C3)NC[C@H]4CCNC[C@@H]4O.Cl
InChI
InChI=1S/C22H30N6O.ClH/c1-15(2)18-13-26-28-21(25-11-16-6-4-3-5-7-16)10-20(27-22(18)28)24-12-17-8-9-23-14-19(17)29;/h3-7,10,13,15,17,19,23,25,29H,8-9,11-12,14H2,1-2H3,(H,24,27);1H/t17-,19+;/m1./s1
InChIKey
YMNPLAHCOLEZJE-ZFNKBKEPSA-N
Chemical Structure
2D Structure
2D structure of CT7001 hydrochloride
CAS: 1805789-54-1
CID: 91844732
Formula: C22H31ClN6O
MW: 431.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight431.0
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass430.2247873
Monoisotopic Mass430.2247873
Topological Polar Surface Area86.5 Ų
Heavy Atom Count30
Formal Charge0
Complexity500
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
S8722-5mgSamuraciclib (ICEC0942) hydrochloride
GTR19176852-01Samuraciclib hydrochloride
HY-103712A-01Samuraciclib (hydrochloride)
HY-103712B-01Samuraciclib (hydrochloride dihydrate)
T63650-01Samuraciclib hydrochloride hydrate
HY-103712C-01Samuraciclib (hydrochloride hydrate)
HY-103712-01Samuraciclib
FXC78954-01ICEC0942 (CT7001)
MBS5796967Samuraciclib trihydrochloride
MBS3841880-01ICEC0942 HCl

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