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Chemical structure of Fumarate hydratase-IN-1

GC32878

Fumarate hydratase-IN-1

Also known as ethyl (3S,3aR)-3-[2-(methylamino)-2-oxoethyl]-2-oxo-1-[(4-phenylphenyl)methyl]-3,4,5,6-tetrahydroindole-3a-carboxylate

Fumarate hydratase-IN-1 (compound 2) is a cell-permeable fumarate hydratase inhibitor· Fumarate hydratase-IN-1 has antiproliferative activity against several cancer cell lines with a mean IC50 of 2·2 μM

ChemicalCAS1644060-37-6MW446.54FormulaC27H30N2O4
CAS number
1644060-37-6
Molecular weight
446.54
Formula
C27H30N2O4
Solubility
DMSO : 50 mg/mL (111·97 mM)
InChIKey
VFGLXHHVYNTCPD-AJTFRIOCSA-N
Catalogue number
GC32878
Brand
GLPBIO
Computed properties PubChem CID 121230973 · XLogP 3.2 · TPSA 75.7 Ų · H-bond donors 1
XLogP
3.2
TPSA
75.7 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
33

SMILES CCOC(=O)[C@@]12CCCC=C1N(C(=O)[C@H]2CC(=O)NC)CC3=CC=C(C=C3)C4=CC=CC=C4

Computed descriptors from PubChem (CID 121230973), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Pricing
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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