Synonym
Cyclotraxin B; Cyclotraxin-B; CyclotraxinB
IUPAC/Chemical Name
(3S,9S,12S,15S,18S,24R,29R,32S,37aS)-29-amino-32-(2-amino-2-oxoethyl)-15-(4-aminobutyl)-18-(2-carboxyethyl)-9-(4-hydroxybenzyl)-12-((R)-1-hydroxyethyl)-3-(2-(methylthio)ethyl)-1,4,7,10,13,16,19,22,30,33-decaoxotetratriacontahydro-1H-pyrrolo[2,1-b1][1,2]dithia[5,8,11,14,17,20,23,26,29,32]decaazacyclopentatriacontine-24-carboxylic acid
InChi Key
JLBMMJHZUYBFGX-ZHTCEXBHSA-N
InChi Code
InChI=1S/C48H73N13O17S3/c1-24(62)39-46(75)58-28(6-3-4-15-49)43(72)56-29(12-13-38(67)68)41(70)52-21-37(66)55-33(48(77)78)23-81-80-22-27(50)40(69)59-32(19-35(51)64)47(76)61-16-5-7-34(61)45(74)57-30(14-17-79-2)42(71)53-20-36(65)54-31(44(73)60-39)18-25-8-10-26(63)11-9-25/h8-11,24,27-34,39,62-63H,3-7,12-23,49-50H2,1-2H3,(H2,51,64)(H,52,70)(H,53,71)(H,54,65)(H,55,66)(H,56,72)(H,57,74)(H,58,75)(H,59,69)(H,60,73)(H,67,68)(H,77,78)/t24-,27+,28+,29+,30+,31+,32+,33+,34+,39+/m1/s1
SMILES Code
O=C1N2[C@](CCC2)([H])C(N[C@H](C(NCC(N[C@H](C(N[C@@](C(N[C@H](C(N[C@H](C(NCC(N[C@@H](CSSC[C@@H](C(N[C@H]1CC(N)=O)=O)N)C(O)=O)=O)=O)CCC(O)=O)=O)CCCCN)=O)([H])[C@H](O)C)=O)CC3=CC=C(C=C3)O)=O)=O)CCSC)=O
Appearance
To be determined
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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
