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CRCD2

CAT: 0804-HY-167710-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-167710-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CRCD2 is a small molecule NT5C2 nucleotidase inhibitor with enhanced 6-mercaptopurine cytotoxic activity. CRCD2 can effectively reverse 6-mercaptopurine resistance caused by mutations in the NT5C2 gene or non-genetic activation mechanisms. CRCD2 combined with 6-mercaptopurine can enhance its cytotoxic activity in NT5C2 wild-type leukemia, showing its potential in the treatment of acute lymphoblastic leukemia[1].
CAS Number
941185-83-7
UNSPSC
12352005
Target
Endogenous Metabolite
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/crcd2.html
Purity
99.02
Solubility
DMSO : 20 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
O=C(C1=C(NC(C2=CC3=C(N=CN3)C=C2)=O)SC4=C1CCCC4)N
Molecular Formula
C17H16N4O2S
Molecular Weight
340.40
References & Citations
[1]Pharmacologic Inhibition of NT5C2 Reverses Genetic and Nongenetic Drivers of 6-MP Resistance in Acute Lymphoblastic Leukemia
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

N-(3-Carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-1H-benzo[d]imidazole-6-carboxamide
CAS Number941185-83-7
PubChem CID22108329
IUPAC NameN-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3H-benzimidazole-5-carboxamide
Molecular FormulaC17H16N4O2S
Molecular Weight340.4
XLogP3
Topological Polar Surface Area129
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity517
SMILES
C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC4=C(C=C3)N=CN4)C(=O)N
InChI
InChI=1S/C17H16N4O2S/c18-15(22)14-10-3-1-2-4-13(10)24-17(14)21-16(23)9-5-6-11-12(7-9)20-8-19-11/h5-8H,1-4H2,(H2,18,22)(H,19,20)(H,21,23)
InChIKey
PBSNIERBSVCZDL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(3-Carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-1H-benzo[d]imidazole-6-carboxamide
CAS: 941185-83-7
CID: 22108329
Formula: C17H16N4O2S
MW: 340.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight340.4
XLogP33
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass340.09939694
Monoisotopic Mass340.09939694
Topological Polar Surface Area129 Ų
Heavy Atom Count24
Formal Charge0
Complexity517
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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