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Chemical structure of TAK-448 acetate

GC37722

TAK-448 acetate

Also known as (2S)-2-[[(2S,4R)-1-[(2R)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-N-[(2S,3R)-1-[[(2S)-1-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-[(N'-methylcarbamimidoyl)amino]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]butanediamide;acetic acid

TAK-448 acetate (MVT-602 acetate) is a potent and full KISS1R agonist with an IC50 of 460 pM and an EC50 of 632 pM

ChemicalCAS1470374-22-1MW1285.41FormulaC60H84N16O16
CAS number
1470374-22-1
Molecular weight
1285.41
Formula
C60H84N16O16
Solubility
DMSO： ≥ 100 mg/mL (77·80 mM); Water： 50 mg/mL (38·90 mM)
InChIKey
ITKNOAGWRWNSIK-NHDJLUSCSA-N
Catalogue number
GC37722
Brand
GLPBIO
Computed properties PubChem CID 91668185 · TPSA 516 Ų · H-bond donors 18 · H-bond acceptors 17
TPSA
516 Ų
H-bond donors
18
H-bond acceptors
17
Rotatable bonds
31
Heavy atoms
92

SMILES C[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NNC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=NC)N)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H]4C[C@H](CN4C(=O)[C@@H](CC5=CC=C(C=C5)O)NC(=O)C)O)O.CC(=O)O

Computed descriptors from PubChem (CID 91668185), 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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