Dihydro FK-506

CAS: 104987-30-6

Ref. TR-D448950

Product Information

• Name: Dihydro FK-506
• Synonyms: Tsukubamycin B, Dihydro Tacrolimus, [3S-[3R*[E(1S*,3S*,4S*)],4S*,5R*,8S*,9E,12R*,14R*,15S*,16R*,18S*,19S*,26aR*]]-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-5,19-dihydroxy-3-[2-(4-hydroxy-3-methoxycyclohexyl)-1-methylethenyl]-14,16-dimethoxy-4,10,12,18-tetramethyl-8-propyl-15,19-Epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone, (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-5,19-dihydroxy-3-[(1E)-2-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethenyl]-14,16-dimethoxy-4,10,12,18-tetramethyl-8-propyl-15,19-Epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone, Dihydro-FK506
• CAS: 104987-30-6

Description

Impurity Tacrolimus 8-Propyl Analog (USP)
Applications A novel analog of FK-506 (F370000) macrocycle.
Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package
References Kino, T., et al.: J. Antibiot., 40, 1249 (1987), Motamedi, H., et al.: J. Bacteriol., 178, 5243 (1996), Dai, Y., et al.: Drug Metab. Dispos., 34, 836 (2006),

• Brand: TRC

Chemical properties

• Molecular weight: 806.03
• Formula: C₄₄H₇₁NO₁₂
• Color/Form: Neat
• InChI: InChI=1S/C44H71NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h19,21,26,28-34,36-40,46-47,52H,10-18,20,22-24H2,1-9H3/b25-19-,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40?,44+/m0/s1
• InChI key: InChIKey=RQYGKZGKXDOUEO-FLTVRMNNSA-N
• SMILES: CCC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)C2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC