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Samuraciclib

CAT: 0804-HY-103712-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-103712-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Samuraciclib (CT7001) is a potent, selective, ATP-competitive and orally active CDK7 inhibitor, with an IC50 of 41 nM. Samuraciclib displays 45-, 15-, 230- and 30-fold selectivity over CDK1, CDK2 (IC50 of 578 nM), CDK5 and CDK9, respectively. Samuraciclib inhibits the growth of breast cancer cell lines with GI50 values between 0.2-0.3 μM. Samuraciclib has anti-tumor effects[1][2].
CAS Number
1805833-75-3
Product Name Alternative
CT7001; ICEC0942
UNSPSC
12352005
Hazard Statement
H302, H315, H319
Target
Apoptosis; CDK
Type
Reference compound
Related Pathways
Apoptosis; Cell Cycle/DNA Damage
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/samuraciclib.html
Purity
99.55
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O[C@H]1CNCC[C@@H]1CNC2=NC3=C(C(C)C)C=NN3C(NCC4=CC=CC=C4)=C2
Molecular Formula
C22H30N6O
Molecular Weight
394.51
Precautions
H302, H315, H319
References & Citations
[1]Hazel P, et al. Inhibitor Selectivity for Cyclin-Dependent Kinase 7: A Structural, Thermodynamic, and Modelling Study. ChemMedChem. 2017 Mar 7;12 (5) :372-380.|[2]Patel H, et al. ICEC0942, an Orally Bioavailable Selective Inhibitor of CDK7 for Cancer Treatment. Mol Cancer Ther. 2018 Jun;17 (6) :1156-1166.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 2
Isoform
CDK1; CDK2; CDK4; CDK5; CDK6; CDK7; CDK9
Citation 01
Int J Mol Sci. 2022 Feb 24;23 (5) :2493.|J Cancer Res Clin Oncol. 2023 Jul;149 (8) :5255-5263.|mBio. 2025 Dec 10;16 (12) :e0289825.|Signal Transduct Target Ther. 2025 Nov 6;10 (1) :363.|Adv Sci (Weinh) . 2024 Dec 10:e2413103.|Biochem Biophys Res Commun. 2024 Aug 28:735:150608.|Cell Death Dis. 2019 Aug 9;10 (8) :602.|Clin Cancer Res. 2024 May 1;30 (9) :1889-1905.|Proc Natl Acad Sci U S A. 2019 Jun 25;116 (26) :12986-12995. |Res Sq. 2024 Jul 29.|Structure. 2024 Jun 9:S0969-2126 (24) 00188-6.|EMBO J. 2025 Sep 8.

Chemical Information

Samuraciclib

Samuraciclib is under investigation in clinical trial NCT03363893 (Modular Study to Evaluate CT7001 Alone in Cancer Patients With Advanced Malignancies).

CAS Number1805833-75-3
PubChem CID91844733
IUPAC Name(3R,4R)-4-[[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol
Molecular FormulaC22H30N6O
Molecular Weight394.5
XLogP2.9
Topological Polar Surface Area86.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity500
SMILES
CC(C)C1=C2N=C(C=C(N2N=C1)NCC3=CC=CC=C3)NC[C@H]4CCNC[C@@H]4O
InChI
InChI=1S/C22H30N6O/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)/t17-,19+/m1/s1
InChIKey
YCVGLKWJKIKVBI-MJGOQNOKSA-N
Chemical Structure
2D Structure
2D structure of Samuraciclib
CAS: 1805833-75-3
CID: 91844733
Formula: C22H30N6O
MW: 394.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight394.5
XLogP32.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass394.24810960
Monoisotopic Mass394.24810960
Topological Polar Surface Area86.5 Ų
Heavy Atom Count29
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 Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T61835-01Samuraciclib
GTR19176852-01Samuraciclib hydrochloride
MBS5796967Samuraciclib trihydrochloride
C13616-10mM/1mLSamuraciclib (ICEC0942) hydrochloride
T63650-01Samuraciclib hydrochloride hydrate

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