Cryptophycin 1
[CAS# 124689-65-2]

Identification

• Name: Cryptophycin 1
• Synonyms: (3S,6R,10R,13E,16S)-10-[(3-Chloro-4-Methoxy-Phenyl)Methyl]-3-Isobutyl-6-Methyl-16-[(1S)-1-[(2R,3R)-3-Phenyloxiran-2-Yl]Ethyl]-1,4-Dioxa-8,11-Diazacyclohexadec-13-Ene-2,5,9,12-Tetrone; (3S,6R,10R,13E,16S)-10-[(3-Chloro-4-Methoxyphenyl)Methyl]-3-Isobutyl-6-Methyl-16-[(1S)-1-[(2R,3R)-3-Phenyl-2-Oxiranyl]Ethyl]-1,4-Dioxa-8,11-Diazacyclohexadec-13-Ene-2,5,9,12-Tetrone; (3S,6R,10R,13E,16S)-10-(3-Chloro-4-Methoxy-Benzyl)-3-Isobutyl-6-Methyl-16-[(1S)-1-[(2R,3R)-3-Phenyloxiran-2-Yl]Ethyl]-1,4-Dioxa-8,11-Diazacyclohexadec-13-Ene-2,5,9,12-Diquinone
• Molecular Formula: C₃₅H₄₃ClN₂O₈
• Molecular Weight: 655.19
• CAS Registry Number: 124689-65-2
• SMILES: [C@@H]1(O[C@@H]1C2=CC=CC=C2)[C@H]([C@H]3OC(=O)[C@@H](OC(=O)[C@@H](CNC(=O)[C@H](NC(=O)/C=C/C3)CC4=CC=C(OC)C(=C4)Cl)C)CC(C)C)C
• InChI: 1S/C35H43ClN2O8/c1-20(2)16-29-35(42)44-27(22(4)31-32(46-31)24-10-7-6-8-11-24)12-9-13-30(39)38-26(33(40)37-19-21(3)34(41)45-29)18-23-14-15-28(43-5)25(36)17-23/h6-11,13-15,17,20-22,26-27,29,31-32H,12,16,18-19H2,1-5H3,(H,37,40)(H,38,39)/b13-9+/t21-,22+,26-,27+,29+,31-,32-/m1/s1
• InChIKey: PSNOPSMXOBPNNV-VVCTWANISA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 889.4±65.0°C at 760 mmHg (Cal.)
• Flash point: 491.7±34.3°C (Cal.)

References

• (1): Weiß Christine, Bogner Tobias, Sammet Benedikt, Sewald Norbert. Total synthesis and biological evaluation of fluorinated cryptophycins, Beilstein Journal of Organic Chemistry, 2012