Calicheamicin gamma1

Calicheamicin gamma1 is a polyketide synthase-derived enediyne that has been found in M. echinospora. It is composed of carbohydrate and aromatic moieties, which bind to the minor groove in DNA, and a warhead moiety that aromatizes and oxidatively induces double-stranded DNA scission in cell-free assays.Formal Name: N-[(1R,4Z,8S,13E)-8-[[4,6-dideoxy-4-[[[2,6-dideoxy-4-S-[4-[(6-deoxy-3-O-methyl-alpha-L-mannopyranosyl)oxy]-3-iodo-5,6-dimethoxy-2-methylbenzoyl]-4-thio-beta-D-ribo-hexopyranosyl]oxy]amino]-2-O-[2,4-dideoxy-4-(ethylamino)-3-O-methyl-alpha-L-threo-pentopyranosyl]-beta-D-glucopyranosyl]oxy]-1-hydroxy-13-[2-(methyltrithio)ethylidene]-11-oxobicyclo[7.3.1]trideca-4,9-diene-2,6-diyn-10-yl]-carbamic acid, methyl ester. CAS Number: 108212-75-5. Synonyms: Calicheamicin gamma1I. Molecular Formula: C55H74IN3O21S4. Formula Weight: 1368.3. Purity: >95%. Formulation: (Request formulation change), A solid. Solubility: Acetonitrile: Slightly Soluble: 0.1-1 mg/ml, DMSO: Sparingly Soluble: 1-10 mg/ml, Methanol: Slightly Soluble: 0.1-1 mg/ml, Water: Sparingly Soluble: 1-10 mg/ml. SMILES: C[C@H]1O[C@@H](O[C@H]2C#C/C=C\C#C[C@]3(O)CC(C(NC(OC)=O)=C2/C3=C\CSSSC)=O)[C@H](O[C@@H]4OC[C@H](NCC)[C@@H](OC)C4)[C@@H](O)[C@@H]1NO[C@@H]5O[C@H](C)[C@@H](SC(C6=C(C)C(I)=C(O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](OC)[C@H]7O)C(OC)=C6OC)=O)[C@@H](O)C5. InChi Code: InChI=1S/C55H74IN3O21S4/c1-12-57-30-24-73-35(22-34(30)68-6)78-48-43(63)40(26(3)75-53(48)77-33-17-15-13-14-16-19-55(67)23-32(61)41(58-54(66)72-10)38(33)29(55)18-20-82-84-81-11)59-80-36-21-31(60)50(28(5)74-36)83-51(65)37-25(2)39(56)46(49(71-9)45(37)69-7)79-52-44(64)47(70-8)42(62)27(4)76-52/h13-14,18,26-28,30-31,33-36,40,42-44,47-48,50,52-53,57,59-60,62-64,67H,12,20-24H2,1-11H3,(H,58,66)/b14-13-,29-18+/t26-,27+,28-,30+,31+,33+,34+,35+,36+,40-,42+,43+,44-,47-,48-,50-,52+,53+,55+/m1/s1. InChi Key: HXCHCVDVKSCDHU-PJKCJEBCSA-N. Origin: Synthetic.