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Chemical structure of Biotin alkyne

GC59012

Biotin alkyne

Also known as 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-prop-2-ynylpentanamide

PACMA 31 is an irreversible, orally active protein disulfide isomerase (PDI) inhibitor with an IC50 of 10 μM· PACMA 31 forms a covalent bond with the active site cysteines of PDI· PACMA 31 shows tumor targeting ability and significantly suppresses ovarian tumor growth without causing toxicity to normal tissues

ChemicalCAS773888-45-2MW281.37FormulaC13H19N3O2S
CAS number
773888-45-2
Molecular weight
281.37
Formula
C13H19N3O2S
Solubility
good in DMSO and DMF, low in water
InChIKey
JJXUHRONZVELPY-NHCYSSNCSA-N
Catalogue number
GC59012
Brand
GLPBIO
Computed properties PubChem CID 89434015 · XLogP 0.2 · TPSA 95.5 Ų · H-bond donors 3
XLogP
0.2
TPSA
95.5 Ų
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
19

SMILES C#CCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2

Computed descriptors from PubChem (CID 89434015), 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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Universities, hospitals and biotech companies across Israel. Research use only — not for diagnostic or therapeutic use.