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SR-4835

CAT: 1568-C13758-03Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1568-C13758-03Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2387704-62-1
SKU
C13758-5mg
Target
CDK
Applications
Cell Cycle
Smiles
CN1C=C (C=N1) N2C=NC3=C (N=C (N=C32) N4CCOCC4) NCC5=NC6=CC (=C (C=C6N5) Cl) Cl
Molecular Formula
C21H20Cl2N10O
Additionnal Information
SR-4835 is a highly selective dual inhibitor of CDK12 and CDK13 with IC50 of 99 nM and Kd of 98 nM for CDK12 and IC50 of 4.9 nM for CDK13. SR-4835 disables triple-negative breast cancer (TNBC) cells. SR-4835 promotes synergy with DNA-damaging chemotherapy and PARP inhibitors.
Storage Conditions
3 years -20°C powder

Chemical Information

SR-4835
CAS Number2387704-62-1
PubChem CID139600338
IUPAC NameN-[(5,6-dichloro-1H-benzimidazol-2-yl)methyl]-9-(1-methylpyrazol-4-yl)-2-morpholin-4-ylpurin-6-amine
Molecular FormulaC21H20Cl2N10O
Molecular Weight499.4
XLogP2.8
Topological Polar Surface Area115
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity704
SMILES
CN1C=C(C=N1)N2C=NC3=C(N=C(N=C32)N4CCOCC4)NCC5=NC6=CC(=C(C=C6N5)Cl)Cl
InChI
InChI=1S/C21H20Cl2N10O/c1-31-10-12(8-26-31)33-11-25-18-19(29-21(30-20(18)33)32-2-4-34-5-3-32)24-9-17-27-15-6-13(22)14(23)7-16(15)28-17/h6-8,10-11H,2-5,9H2,1H3,(H,27,28)(H,24,29,30)
InChIKey
FSELUFUYNUNZKD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SR-4835
CAS: 2387704-62-1
CID: 139600338
Formula: C21H20Cl2N10O
MW: 499.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight499.4
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass498.1198607
Monoisotopic Mass498.1198607
Topological Polar Surface Area115 Ų
Heavy Atom Count34
Formal Charge0
Complexity704
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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Alternative Products

CatalogName
MBS3611563-01SR-4835
BS180614-01SR 4835
A22337-100SR-4835 100mg
A22337-500SR-4835 500mg
A22337-25SR-4835 25mg
A22337-50SR-4835 50mg
A22337-2SR-4835 2mg
A22337-10SR-4835 10mg
A22337-5SR-4835 5mg
A22337-1SR-4835 1mg

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