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MDL 29,913

MDL 29913 acts as selective antagonist of NK2 tachykinin receptor. It is used for the treatment of IBS.

Designed for biological research and industrial applications, not intended for individual clinical or medical purposes.

CAT No: R1071

CAS No:135721-56-1

Synonyms/Alias:1,4,7,10,13,16-Hexaazacyclooctadecane, Cyclic Peptide Deriv.; N-​(2-​Amino-​4-​methylpentyl)​-​N-​methyl-​L-​leucyl-​L-​glutaminyl-​L-​tryptophyl-​L-​phenylalanylglycine (5→1)​-​Lactam

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cGMP Peptide
  • Registration of APIs
  • CMC information required for an IND
  • IND and NDA support
  • Drug master files (DMF) filing
M.F/Formula
C40H56N8O6
M.W/Mr.
745
Sequence
QWFGLL(Modifications: Leu-5 - Leu-6 = Leu-CH2N(CH3)-Leu, Cyclized)
Labeling Target
NK2 tachykinin receptor
Appearance
White lyophilised solid
Purity
>97%
Activity
Antagonist
Long-term Storage Conditions
Soluble in water
InChI
InChI=1S/C40H56N8O6/c1-25(2)19-29(41)24-48(5)35(20-26(3)4)40(54)45-32(15-16-36(42)50)38(52)47-34(22-28-23-44-31-14-10-9-13-30(28)31)39(53)46-33(37(51)43-17-18-49)21-27-11-7-6-8-12-27/h6-14,17-18,23,25-26,29,32-35,44H,15-16,19-22,24,41H2,1-5H3,(H2,42,50)(H,45,54
InChI Key
DBIVSFCCTOEQTP-CITGXELPSA-N
Isomeric SMILES
CC(C)CC(N)CN(C)[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc3ccccc3)C(=O)N=CC=O
BoilingPoint
N/A
Melting Point
N/A

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