(2S,3S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-acetamido-6-aminohexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-3-methylpentanoic acid

HCID 5311397

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 185052-09-9
Standard SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)O
InChIKey: DOSXOGUJJBDRGQ-VUBDHFCFSA-N
Molecular formula: C57H81N13O12
Average molar mass: 1,140.3 g/mol
Monoisotopic mass: 1,139.61276503

Names & identifiers

Preferred name: (2S,3S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-acetamido-6-aminohexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-3-methylpentanoic acid
IUPAC: (2S,3S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-acetamido-6-aminohexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-3-methylpentanoic acid
English name: R 715
Molecular formula: C57H81N13O12
Molecular weight: 1140.33

Names & synonyms

185052-09-9R715R 715(2S,3S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-acetamido-6-aminohexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-3-methylpentanoic acidR-715CHEMBL410363DTXSID601356824AKOS024457611DA-77310MS-32902HY-103290CS-0027164

Show more names

L-Isoleucine, N2-acetyl-L-lysyl-L-arginyl-L-prolyl-L-prolylglycyl-L-phenylalanyl-L-seryl-3-(2-naphthalenyl)-D-alanyl-

AcLys(D-betaNal(7),Ile(8))des-Arg(9)-bradykininN-acetyl-L-lysyl-L-arginyl-L-prolyl-L-prolyl-glycyl-L-phenylalanyl-L-seryl-3-(2-naphthyl)-D-alanyl-L-isoleucine

Database identifiers

CAS: 185052-09-9
PubChem CID: 5311397
DTXSID: DTXSID601356824
ChEMBL: CHEMBL410363
Nikkaji: J863.117D

Properties

Computed structural properties

XLogP: -1.3
Topological polar surface area: 392 Å²
Hydrogen bond donors: 12
Hydrogen bond acceptors: 14
Rotatable bonds: 31
Heavy atoms: 82
Formal charge: 0
Complexity: 2,210

Physicochemical properties

Density: 1.39 · 1.39±0.1 g/cm3(Predicted)
storage temp.: -20 °C · Desiccate at -20°C
pka: 3.35 · 3.35±0.10(Predicted)
form: Powder
color: White to off-white
Water Solubility: 5 mg/ml · Soluble to 5 mg/ml in water
Sequence: Ac-Lys-Arg-Pro-Pro-Gly-Phe-Ser-{d-βNal}-Ile

Chemistry & industry

Applications

DescriptionPotent and selective bradykinin B1receptor antagonist (pA2= 8.49). Displays no activity at B2receptors. Reduces mechanical hypernociception in a mouse model of neuropathic pain. Metabolically stable.

UsesR715 is a selective bradykinin B1 receptor antagonist. R715 significantly attenuates the hyperalgesic effect developed in Streptozotocin(HY-13753)-diabetic mice[1].

Suppliers28 total

上海鸿肽生物科技有限公司15318089928 · [email protected]

武汉易泰科技有限公司上海分公司18930552037 · [email protected]

杭州思诺达医药科技有限责任公司0571-87213919 17306812703 · [email protected]

四川吉晟生物医药有限公司+86-0833-2598903 15528221685 · [email protected]

Creative Peptides[email protected]

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…