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Merck
CN

B4188

BMS-200261 trifluoroacetate

≥95% (HPLC)

Synonym(s):

4-Fluoro-N-[(2E)-1-oxo-3-phenyl-2-propen-1-yl]-L-phenylalanyl-4-[(aminoiminomethyl)amino]-L-phenylalanyl-L-leucyl-L-arginyl-L-argininamide, trans-Cinnamoyl-F(f)-F(Gn)-L-R-R-amide

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About This Item

Empirical Formula (Hill Notation):
C46H64FN15O6 · xC2HF3O2
Molecular Weight:
942.10 (free base basis)
UNSPSC Code:
12352200
PubChem Substance ID:
329773230
MDL number:
MFCD16875418

Key Documents

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InChI

1S/C46H64FN15O6.C2HF3O2/c1-27(2)24-35(41(66)60-34(11-7-23-56-45(51)52)40(65)59-33(39(48)64)10-6-22-55-44(49)50)61-43(68)37(26-30-14-19-32(20-15-30)57-46(53)54)62-42(67)36(25-29-12-17-31(47)18-13-29)58-38(63)21-16-28-8-4-3-5-9-28;3-2(4,5)1(6)7/h3-5,8-9,12-21,27,33-37H,6-7,10-11,22-26H2,1-2H3,(H2,48,64)(H,58,63)(H,59,65)(H,60,66)(H,61,68)(H,62,67)(H4,49,50,55)(H4,51,52,56)(H4,53,54,57);(H,6,7)/b21-16+;/t33-,34-,35-,36-,37-;/m0./s1

SMILES string

OC(=O)C(F)(F)F.CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(NC(N)=N)cc1)NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)\C=C\c3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O

InChI key

SJMXBLXVDRNKPX-QZJJLWPGSA-N

assay

≥95% (HPLC)

form

powder

color

white

solubility

H2O: >1 mg/mL

storage temp.

−20°C

Biochem/physiol Actions

BMS-200261 trifluoroacetate is a potent and selective PAR1 antagonist.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Storage Class

13 - Non Combustible Solids

wgk

nwg

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
112M4727V
010M4708

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Patrizia M Spoerri et al.
Structure (London, England : 1993), 27(10), 1517-1526 (2019-08-20)
G protein-coupled receptors (GPCRs) show complex relationships between functional states and conformational plasticity that can be qualitatively and quantitatively described by contouring their free energy landscape. However, how ligands modulate the free energy landscape to direct conformation and function of

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