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Samuraciclib hydrochloride

CAT: 0013-GTR19176852-04Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19176852-04Size:1 ml x 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Samuraciclib hydrochloride is a potent, orally bioavailable and selective CDK7 inhibitor (IC50=41 nM) . It demonstrates anti-proliferative activity in breast cancer cell lines (GI50 0.2-0.3 μM) and has shown antitumor efficacy in preclinical in vivo studies.
CAS Number
1805789-54-1
Product Name Alternative
CT7001, CT-7001, CT7001 hydrochloride, CT7001 Hydrochloride, CT-7001 Hydrochloride, CT 7001, CT 7001 Hydrochloride, cycle, Cyclin dependent kinase, deregulation, CDK4/Cyc D1, cdk2/cyclin A, CDK2/cyclinA, CDK5/p35NCK, CDK6/cycD1, CDK7, CDK7/cyclinH, CDK7/cyclin H, CDK9/CycT1, CDK, CDK1/cyc A, Apoptosis, anti-tumor, ATP-competitive, Asp155, arrest, non-covalent, inhibit, ICEC 0942, ICEC 0942 Hydrochloride, ICEC0942, ICEC-0942, ICEC0942 hydrochloride, ICEC0942 Hydrochloride, ICEC-0942 Hydrochloride, Inhibitor, Samuraciclib, Samuraciclib hydrochloride, Samuraciclib Hydrochloride, PolII, phosphorylates
Field of Research
Cell Biology
Purity
≥98% (May vary between batches)
Solubility
H2O:55 mg/mL (127.62 mM) ; DMSO:150 mg/mL (348.05 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (4.64 mM)
Smiles
Cl.CC (C) c1cnn2c (NCc3ccccc3) cc (NC[C@H]3CCNC[C@@H]3O) nc12
Molecular Formula
C22H31ClN6O
Molecular Weight
430.97
Storage Conditions
-20°C
Notes
For research use only.

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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