Synonym
Recanaclotide; IW-9179; IW 9179; IW9179;
IUPAC/Chemical Name
(3S,6R,9S,15R,20R,23S,26S,29R,32R,37R,40S,45aS)-32-amino-40-(2-amino-2-oxoethyl)-9-((R)-1-hydroxyethyl)-23-isobutyl-3-methyl-1,4,7,10,13,22,25,28,31,38,41,47-dodecaoxo-26-((phosphonooxy)methyl)tetracontahydro-19H-37,20-(epiminomethano)-6,29-(methanodithiomethano)pyrrolo[2,1-s][1,2,27,28]tetrathia[5,8,11,14,17,20,23,32,35,38,41]undecaazacyclotritetracontine-15-carboxylic acid
InChi Key
GIUNZSCFWBGNLR-ATLORWJNSA-N
InChi Code
InChI=1S/C45H71N14O20PS6/c1-18(2)8-22-36(65)56-27-15-85-86-17-29(45(74)75)50-32(62)10-48-43(72)33(20(4)60)58-41(70)28-16-84-83-13-25(39(68)53-24(37(66)51-22)11-79-80(76,77)78)55-35(64)21(46)12-81-82-14-26(57-40(27)69)38(67)52-23(9-31(47)61)44(73)59-7-5-6-30(59)42(71)49-19(3)34(63)54-28/h18-30,33,60H,5-17,46H2,1-4H3,(H2,47,61)(H,48,72)(H,49,71)(H,50,62)(H,51,66)(H,52,67)(H,53,68)(H,54,63)(H,55,64)(H,56,65)(H,57,69)(H,58,70)(H,74,75)(H2,76,77,78)/t19-,20+,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,33-/m0/s1
SMILES Code
CC(C[C@@H]1NC([C@@H](NC([C@@H]2CSSC[C@@H]3NC([C@@H](NC([C@@H]4CCCN4C([C@@H](NC([C@@H](NC([C@@H](NC1=O)CSSC[C@@H](C(O)=O)NC(CNC([C@H]([C@H](O)C)NC3=O)=O)=O)=O)CSSC[C@@H](C(N2)=O)N)=O)CC(N)=O)=O)=O)C)=O)=O)COP(O)(O)=O)=O)C
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
