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Gamendazole

CAT: 0931-T24084-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T24084-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
877773-32-5
Target
Others, EGFR, Akt, HSP
Related Pathways
Metabolism, Cytoskeletal Signaling, Tyrosine Kinase/Adaptors, Others, PI3K/Akt/mTOR signaling, JAK/STAT signaling, Angiogenesis
Bioactivity
Gamendazole is a novel drug candidate for male contraception. It has been shown to reduce fertility in male rats without affecting testosterone levels.
Smiles
C(N1C=2C(C(C=CC(O)=O)=N1)=CC=C(C(F)(F)F)C2)C3=C(Cl)C=C(Cl)C=C3
Molecular Formula
C18H11Cl2F3N2O2
Molecular Weight
415.19
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Gamendazole

Gamendazole is a member of the class of indazoles that is 3-(indazol-3-yl}prop-2-enoic acid carrying additional 2,4-dichlorobenzyl and trifluoromethyl substituents at positions 1 and 6 respectively. An orally active antispermatogenic compound with antifertility effects that is a potential male contraceptive drug. It has a role as an antispermatogenic agent, a synthetic oral contraceptive, a Hsp90 inhibitor and a eukaryotic translation elongation factor 1alpha 1 inhibitor. It is a dichlorobenzene, an organofluorine compound, a member of indazoles, an olefinic compound and an alpha,beta-unsaturated monocarboxylic acid. It is functionally related to a lonidamine.

CAS Number877773-32-5
PubChem CID11212172
IUPAC Name(E)-3-[1-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]prop-2-enoic acid
Molecular FormulaC18H11Cl2F3N2O2
Molecular Weight415.2
XLogP5.3
Topological Polar Surface Area55.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity575
SMILES
C1=CC2=C(C=C1C(F)(F)F)N(N=C2/C=C/C(=O)O)CC3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C18H11Cl2F3N2O2/c19-12-3-1-10(14(20)8-12)9-25-16-7-11(18(21,22)23)2-4-13(16)15(24-25)5-6-17(26)27/h1-8H,9H2,(H,26,27)/b6-5+
InChIKey
KYYQMVUKYQCSQY-AATRIKPKSA-N
Chemical Structure
2D Structure
2D structure of Gamendazole
CAS: 877773-32-5
CID: 11212172
Formula: C18H11Cl2F3N2O2
MW: 415.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight415.2
XLogP35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass414.0149675
Monoisotopic Mass414.0149675
Topological Polar Surface Area55.1 Ų
Heavy Atom Count27
Formal Charge0
Complexity575
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-123035-01Gamendazole
M36435-01H2-Gamendazole

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