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GYKI-13324

CAT: 0931-T32026Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T32026Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
76123-41-6
Target
Others
Related Pathways
Others
Bioactivity
GYKI-13324 is bifunctional nitrosoureido derivative and alkylating agent. GYKI-13324 was studied on human colorectal tumor xenograft lines. Given orally in single or multiple daily doses, GYKI-13324 produced long-term or total regression of adenomatous, but only marginal growth delay of mucinous tumors. GYKI-13324, with slightly lower toxicity than that of BCNU, seems to be a candidate in the clinical management of colorectal tumors.
Smiles
N(CC(C(CNC(N(CCCl)N=O)=O)O)O)(C(NCCCl)=O)N=O
Molecular Formula
C10H18Cl2N6O6
Molecular Weight
389.19
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Gyki 13324

RN given refers to cpd with unspecified isomeric designation; structure in first source

CAS Number76123-41-6
PubChem CID127119
IUPAC Name1-(2-chloroethyl)-3-[4-[2-chloroethylcarbamoyl(nitroso)amino]-2,3-dihydroxybutyl]-1-nitrosourea
Molecular FormulaC10H18Cl2N6O6
Molecular Weight389.19
XLogP-0.7
Topological Polar Surface Area164
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count24
Formal Charge0
Complexity431
SMILES
C(CCl)NC(=O)N(CC(C(CNC(=O)N(CCCl)N=O)O)O)N=O
InChI
InChI=1S/C10H18Cl2N6O6/c11-1-3-13-9(21)18(16-24)6-8(20)7(19)5-14-10(22)17(15-23)4-2-12/h7-8,19-20H,1-6H2,(H,13,21)(H,14,22)
InChIKey
UYXBAEBEXLEPKR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Gyki 13324
CAS: 76123-41-6
CID: 127119
Formula: C10H18Cl2N6O6
MW: 389.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight389.19
XLogP3-0.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass388.0664877
Monoisotopic Mass388.0664877
Topological Polar Surface Area164 Ų
Heavy Atom Count24
Formal Charge0
Complexity431
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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MBS5781610GYKI-13324
B7807-2Netarsudil (AR-13324)
TRC-A253320-250MGAR-13324 mesylate
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HY-19005GYKI-32887
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MBS5773074GYKI-52466
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