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Merck
CN

B4188

Sigma-Aldrich

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)
MDL number:
MFCD16875418
UNSPSC Code:
12352200
PubChem Substance ID:
329773230

Key Documents

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Assay

≥95% (HPLC)

form

powder

color

white

solubility

H2O: >1 mg/mL

storage temp.

−20°C

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

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

InChI key

SJMXBLXVDRNKPX-QZJJLWPGSA-N

Biochem/physiol Actions

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

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Precautionary Statements

P261 - P305 + P351 + P338

Hazard Classifications

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

Storage Class Code

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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