59865-16-6

Basic information

• Product Name: 30-ethyl-34-[(Z)-hex-4-en-2-yl]-4,7,10,12,15,19,25,28-octamethyl-33-me thylamino-6,9,18,24-tetrakis(2-methylpropyl)-3,21-dipropan-2-yl-1-oxa- 4,7,10,13,16,19,22,25,28,31-decazacyclotetratriacontane-2,5,8,11,14,17 ,20,23,26,29,32-undecone
• Synonyms: 30-ethyl-34-[(Z)-hex-4-en-2-yl]-4,7,10,12,15,19,25,28-octamethyl-33-me thylamino-6,9,18,24-tetrakis(2-methylpropyl)-3,21-dipropan-2-yl-1-oxa- 4,7,10,13,16,19,22,25,28,31-decazacyclotetratriacontane-2,5,8,11,14,17 ,20,23,26,29,32-undecone;isocyclosporin A;Cyclo[L-Abu-Sar-N-methyl-L-Leu-L-Val-N-methyl-L-Leu-L-Ala-D-Ala-N-methyl-L-Leu-N-methyl-L-Leu-N-methyl-L-Val-[(3R,4R)-3-hydroxy*-N-methyl-5-[(E)-1-propenyl]-L-Leu-]];L-Valine, N-(3-hydroxy-4-methyl-2-(methylamino)-1-oxo-6-octenyl)-L-(alpha-aminobutyryl)-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl-L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-, theta1-1actone, (2S-(2R*,3S*,4S*,6E))-;(2S,3R,4R,6E)-3-Hydroxy-4-Methyl-2-(MethylaMino)-6-octenoyl-(2S)-2-aMinobutanoyl-N-Methylglycyl-N-Methyl-L-leucyl-L-valyl-N-Methyl-L-leucyl-L-alanyl-D-alanyl-N-Methyl-L-leucyl-N-Methyl-L-leucyl-N-Methyl-L-valine (111)-Lactone;[2S-(2R*,3S*,4S*,6E)]-N-[3-Hydroxy-4-methyl-2-(methylamino)-1-oxo-6-octenyl]-L-alpha-aminobutyryl-N-methylglycyl-N-methyl-L-le
• CAS NO: 59865-16-6
• Molecular Formula: C62H111N11O12
• Molecular Weight: 1202.62
• Product Categories: Intermediates & Fine Chemicals;Peptides;Pharmaceuticals
• Mol File: 59865-16-6.mol
• Article Data: 3

Chemical Properties

• Melting Point: 148-152°C
• Boiling Point: 1280.5°C at 760 mmHg
• Flash Point: 728.2°C
• Appearance: /
• Density: 1.13g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.537
• Storage Temp.: -20°C Freezer
• Solubility: DMSO (Slightly), Methanol (Slightly)
• PKA: 13.42±0.70(Predicted)
• Stability: Hygroscopic
• CAS DataBase Reference: 30-ethyl-34-[(Z)-hex-4-en-2-yl]-4,7,10,12,15,19,25,28-octamethyl-33-me thylamino-6,9,18,24-tetrakis(2-methylpropyl)-3,21-dipropan-2-yl-1-oxa- 4,7,10,13,16,19,22,25,28,31-decazacyclotetratriacontane-2,5,8,11,14,17 ,20,23,26,29,32-undecone(CAS DataBase Reference)
• NIST Chemistry Reference: 30-ethyl-34-[(Z)-hex-4-en-2-yl]-4,7,10,12,15,19,25,28-octamethyl-33-me thylamino-6,9,18,24-tetrakis(2-methylpropyl)-3,21-dipropan-2-yl-1-oxa- 4,7,10,13,16,19,22,25,28,31-decazacyclotetratriacontane-2,5,8,11,14,17 ,20,23,26,29,32-undecone(59865-16-6)
• EPA Substance Registry System: 30-ethyl-34-[(Z)-hex-4-en-2-yl]-4,7,10,12,15,19,25,28-octamethyl-33-me thylamino-6,9,18,24-tetrakis(2-methylpropyl)-3,21-dipropan-2-yl-1-oxa- 4,7,10,13,16,19,22,25,28,31-decazacyclotetratriacontane-2,5,8,11,14,17 ,20,23,26,29,32-undecone(59865-16-6)

Safety Data

• Hazardous Substances Data: 59865-16-6(Hazardous Substances Data)

Usage

Chemical Properties

White Solid

Uses

Different sources of media describe the Uses of 59865-16-6 differently. You can refer to the following data:
1. Isocyclosporin A is a rearranged degradation product formed by acid treatment of cyclosporin A under aqueous and non-aqueous conditions. This rearrangement has been used as the basis of a HPLC fluorescence for quantifying cyclosporin A. The pharmacology of isocyclosporin A has received little attention.
2. Cyclosporin A (C988900) impurity.

InChI:InChI=1/C62H111N11O12/c1-25-27-28-40(15)52-50(63-18)56(78)66-43(26-2)58(80)68(19)33-48(74)69(20)44(29-34(3)4)55(77)67-49(38(11)12)61(83)70(21)45(30-35(5)6)54(76)64-41(16)53(75)65-42(17)57(79)71(22)46(31-36(7)8)59(81)72(23)47(32-37(9)10)60(82)73(24)51(39(13)14)62(84)85-52/h25,27,34-47,49-52,63H,26,28-33H2,1-24H3,(H,64,76)(H,65,75)(H,66,78)(H,67,77)/b27-25-

Upstream product

• 59865-13-3 cyclosporin A 

Relevant articles and documents

1H NMR analysis of isocyclosporin A prepared in organic solvent and in aqueous solution

Isocyclosporins are isomers of cyclosporins deriving from an N,O-acyl transfer occurring under acidic conditions. For the identification by 1H NMR of isocyclosporins prepared in organic solvents the signal at 2.3 ppm assigned to three hydrogens of the NHCH3 group is considered. Results reported here show that the 1H NMR spectrum of isocyclosporin A prepared in aqueous acidic conditions lacks of the above signal and profoundly differs from that of isocyclosporin A prepared in organic solvents, despite the identity of the primary structures determined on the basis of mass spectrometric analysis.

Isolation and structure determination of the new cyclosporins E, F, G, H and I

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