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R9032

Sigma-Aldrich

R-715 TFA salt

≥95% (HPLC)

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Synonym(s):
Ac-Lys-[D-betaNal7,lle8]desArg9-bradykinin
Empirical Formula (Hill Notation):
C57H81N13O12 · xC2HF3O2
Molecular Weight:
1140.33 (free base basis)
MDL number:
MFCD16875429
UNSPSC Code:
12352200
PubChem Substance ID:
329824043
NACRES:
NA.77

Quality Level

100

Assay

≥95% (HPLC)

form

powder

color

white to off-white

solubility

H2O: >1 mg/mL

storage temp.

−20°C

SMILES string

OC(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc3ccccc3)NC(=O)CNC(=O)[C@@H]4CCCN4C(=O)[C@@H]5CCCN5C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(C)=O)C(O)=O

InChI

1S/C57H81N13O12.C2HF3O2/c1-4-34(2)48(56(81)82)68-51(76)43(31-37-23-24-38-17-8-9-18-39(38)29-37)66-52(77)44(33-71)67-50(75)42(30-36-15-6-5-7-16-36)64-47(73)32-62-53(78)45-21-13-27-69(45)55(80)46-22-14-28-70(46)54(79)41(20-12-26-61-57(59)60)65-49(74)40(63-35(3)72)19-10-11-25-58;3-2(4,5)1(6)7/h5-9,15-18,23-24,29,34,40-46,48,71H,4,10-14,19-22,25-28,30-33,58H2,1-3H3,(H,62,78)(H,63,72)(H,64,73)(H,65,74)(H,66,77)(H,67,75)(H,68,76)(H,81,82)(H4,59,60,61);(H,6,7)/t34-,40-,41-,42-,43+,44-,45-,46-,48-;/m0./s1

InChI key

ZFUJDXXJCMFOSK-WBUMRSSGSA-N

Amino Acid Sequence

Ac-Lys-Arg-Pro-Pro-Gly-Phe-Ser-Ile

Biochem/physiol Actions

Novel, selective, metabolically stable B1 bradykinin receptor antagonist.

Features and Benefits

This compound is featured on the Bradykinin Receptors page of the Handbook of Receptor Classification and Signal Transduction. To browse other handbook pages, click here.

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Regulatory Information

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