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Neurokinin B acetate

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Neurokinin B acetate, one of the tachykinin family of peptides, binds a family of GPCRs-including neurokinin receptor 1 (NK1R), NK2R, and NK3R to mediate their biological effect but shows preference for the NK-3 receptor.

Category

Peptide Inhibitors

Catalog number

BAT-016346

Molecular Formula

C57H83N13O16S2

Molecular Weight

1270.48

Specification

IUPAC Name

acetic acid;(3S)-3-amino-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid

Synonyms

H-Asp-Met-His-Asp-Phe-Phe-Val-Gly-Leu-Met-NH2.CH3CO2H; L-alpha-aspartyl-L-methionyl-L-histidyl-L-alpha-aspartyl-L-phenylalanyl-L-phenylalanyl-L-valyl-glycyl-L-leucyl-L-methioninamide acetic acid; Neurokinin B (swine spinal cord) acetate; Neurokinin B (human) acetate; Neurokinin B (pig spinal cord) acetate; Neurokinin B (porcine) acetate; Neurokinin β (pig spinal cord) acetate; Neuromedin K (pig spinal cord) acetate; Porcine neurokinin B acetate; Zneurok1 (human) acetate

Related CAS

86933-75-7 (free base) 101536-55-4 (TFA salt)

Purity

≥95%

Sequence

DMHDFFVGLM-NH2.CH3CO2H

Storage

Store at -20°C

InChI

InChI=1S/C55H79N13O14S2.C2H4O2/c1-30(2)21-38(50(77)62-36(47(57)74)17-19-83-5)61-43(69)28-59-55(82)46(31(3)4)68-54(81)40(23-33-15-11-8-12-16-33)65-51(78)39(22-32-13-9-7-10-14-32)64-53(80)42(26-45(72)73)67-52(79)41(24-34-27-58-29-60-34)66-49(76)37(18-20-84-6)63-48(75)35(56)25-44(70)71;1-2(3)4/h7-16,27,29-31,35-42,46H,17-26,28,56H2,1-6H3,(H2,57,74)(H,58,60)(H,59,82)(H,61,69)(H,62,77)(H,63,75)(H,64,80)(H,65,78)(H,66,76)(H,67,79)(H,68,81)(H,70,71)(H,72,73);1H3,(H,3,4)/t35-,36-,37-,38-,39-,40-,41-,42-,46-;/m0./s1

InChI Key

NVDQRXGZAZEDFQ-SBPCDBINSA-N

Canonical SMILES

CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC(=O)O)NC(=O)C(CC3=CN=CN3)NC(=O)C(CCSC)NC(=O)C(CC(=O)O)N.CC(=O)O