Synonym
Maraciclatide; NC 100692; NC-100692; NC100692;
IUPAC/Chemical Name
2-((1R,4S,10R,13S,16R,19S,25S)-10-((1-amino-1,5-dioxo-3,9,12,15-tetraoxa-6-azaheptadecan-17-yl)carbamoyl)-13-benzyl-25-(3-guanidinopropyl)-4-(4-(5-((5-(((E)-3-(hydroxyimino)-2-methylbutan-2-yl)amino)-3-(2-(((E)-3-(hydroxyimino)-2-methylbutan-2-yl)amino)ethyl)pentyl)amino)-5-oxopentanamido)butyl)-3,6,12,15,18,21,24,27-octaoxo-8,29,30-trithia-2,5,11,14,17,20,23,26-octaazabicyclo[14.11.4]hentriacontan-19-yl)acetic acid
InChi Key
OTOMOKKNHNZSBB-ZHQNANIESA-N
InChi Code
InChI=1S/C72H120N20O21S3/c1-45(91-108)71(3,4)82-26-21-47(22-27-83-72(5,6)46(2)92-109)20-25-77-58(95)19-12-18-57(94)76-23-11-10-16-50-65(103)89-54-42-115-116-43-55(90-67(105)52(37-62(99)100)85-59(96)38-81-63(101)49(86-68(54)106)17-13-24-80-70(74)75)69(107)87-51(36-48-14-8-7-9-15-48)66(104)88-53(41-114-44-61(98)84-50)64(102)79-29-31-111-33-35-112-34-32-110-30-28-78-60(97)40-113-39-56(73)93/h7-9,14-15,47,49-55,82-83,108-109H,10-13,16-44H2,1-6H3,(H2,73,93)(H,76,94)(H,77,95)(H,78,97)(H,79,102)(H,81,101)(H,84,98)(H,85,96)(H,86,106)(H,87,107)(H,88,104)(H,89,103)(H,90,105)(H,99,100)(H4,74,75,80)/b91-45+,92-46+/t49-,50-,51-,52-,53-,54-,55-/m0/s1
SMILES Code
C/C(C(C)(NCCC(CCNC(C)(/C(C)=N/O)C)CCNC(CCCC(NCCCC[C@H]1C(N[C@H]2CSSC[C@H](NC([C@H](CC(O)=O)NC(CNC([C@H](CCCNC(N)=N)NC2=O)=O)=O)=O)C(N[C@@H](Cc3ccccc3)C(N[C@H](C(NCCOCCOCCOCCNC(COCC(N)=O)=O)=O)CSCC(N1)=O)=O)=O)=O)=O)=O)C)=N\O
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
