Cas no 143205-42-9 (NIM811)

NIM811 structure
NIM811 structure
Product Name:NIM811
CAS No:143205-42-9
MF:C62H111N11O12
MW:1202.61124
CID:151285
PubChem ID:6473876
Update Time:2024-11-04

NIM811 Chemical and Physical Properties

Names and Identifiers

    • Cyclosporin A,9-(N-methyl-L-isoleucine)-
    • (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-24-[(2S)-butan-2-yl]-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18-tris(2-methylpropyl)-3,21-di(propan-2-yl)-1,4
    • SDZ NIM811
    • (Melle-4)cyclosporin
    • 30-ethyl-33-[(4E)-1-hydroxy-2-methylhex-4-en-1-yl]-1,4,7,10,12,15,19,25,28-nonamethyl-3,21-bis(1-methylethyl)-24-(1-methylpropyl)-6,9,18-tris(2-methylpropyl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
    • 9-(N-Methyl-L-isoleucine)cyclosporin A
    • NIM 811
    • Sdz-nim-811
    • NIM811
    • SDZ NIM811; (Melle-4)cyclosporin
    • [MeIle]4-CsA
    • DTXSID70904006
    • Cyclosporin A, 9-(N-methyl-L-isoleucine)-
    • 9-(N-methylisoleucine)cyclosporin A
    • (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-24-((2S)-butan-2-yl)-30-ethyl-33-((E,1R,2R)-1-hydroxy-2-methylhex-4-enyl)-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18-tris(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
    • SCHEMBL14670015
    • Sdz nim 811
    • DA-76186
    • SDZ-NIM811
    • 9-(N-methyl-L-isoleucine)-cyclosporin A
    • BDBM50339126
    • Q6954330
    • [Me-Ile-4]Cyclosporin A
    • [N-MeIle4]-cyclosporin
    • (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-24-sec-butyl-30-ethyl-33-((1R,2R)-1-hydroxy-2-methylhex-4-enyl)-6,9,18-triisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone
    • NIM-811
    • 143205-42-9
    • DB13068
    • 96262S4I14
    • [MeIle]4-Ciclosporin
    • DTXCID701331932
    • G12868
    • MS-32042
    • HY-P0025
    • CS-8062
    • CHEMBL1688529
    • UNII-96262S4I14
    • [MeIle]4-Cyclosporin
    • AKOS040733857
    • (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methyl-hex-4-enyl]-6,9,18-triisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-24-[(1S)-1-methylpropyl]-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
    • (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-24-[(2S)-butan-2-yl]-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18-tris(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
    • Inchi: InChI=1S/C62H111N11O12/c1-25-28-29-40(15)52(75)51-56(79)65-43(27-3)58(81)67(18)33-47(74)71(22)50(39(14)26-2)55(78)66-48(37(10)11)61(84)68(19)44(30-34(4)5)54(77)63-41(16)53(76)64-42(17)57(80)69(20)45(31-35(6)7)59(82)70(21)46(32-36(8)9)60(83)72(23)49(38(12)13)62(85)73(51)24/h25,28,34-46,48-52,75H,26-27,29-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b28-25+/t39-,40+,41-,42+,43-,44-,45+,46-,48-,49-,50-,51-,52+/m0/s1
    • InChI Key: RPJPZDVUUKWPGT-DFMMNQPZSA-N
    • SMILES: C/C=C/C[C@H]([C@@H](O)[C@@]1(N(C)C([C@]([H])(C(C)C)N(C)C([C@H](CC(C)C)N(C)C([C@]([H])(CC(C)C)N(C)C([C@@H](C)NC([C@H](C)NC([C@@H](N(C([C@@]([H])(NC([C@@]([H])(N(C(CN(C([C@@H](NC1=O)CC)=O)C)=O)C)[C@H](CC)C)=O)C(C)C)=O)C)CC(C)C)=O)=O)=O)=O)=O)=O)[H])C

Computed Properties

  • Exact Mass: 1201.841
  • Monoisotopic Mass: 1201.841
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 23
  • Heavy Atom Count: 85
  • Rotatable Bond Count: 15
  • Complexity: 2330
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 13
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 279A^2
  • XLogP3: 7.5

Experimental Properties

  • Density: 1.018
  • Boiling Point: 1293.6°Cat760mmHg
  • Flash Point: 736.2°C
  • Refractive Index: 1.468

NIM811 Security Information

  • Storage Condition:Powder -80°C 2 years ? -20°C 1 year In solvent -80°C 6 months ? -20°C 1 month

NIM811 Pricemore >>

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