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Home Other Building Blocks Voclosporin [usan]

Voclosporin [usan]

CAS No.:
515814-01-4
Catalog Number:
AG00E811
Molecular Formula:
C63H111N11O12
Molecular Weight:
1214.6219
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$960
- +
10mg
99%
1 week
United States
$1376
- +
25mg
99%
1 week
United States
$2765
- +
50mg
99%
1 week
United States
$4154
- +
100mg
99%
1 week
United States
$6168
- +
Product Description
Catalog Number:
AG00E811
Chemical Name:
Voclosporin [usan]
CAS Number:
515814-01-4
Molecular Formula:
C63H111N11O12
Molecular Weight:
1214.6219
MDL Number:
MFCD30720011
IUPAC Name:
(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(1R,2R,4E)-1-hydroxy-2-methylhepta-4,6-dienyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(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/C63H111N11O12/c1-25-27-28-29-41(15)53(76)52-57(80)66-44(26-2)59(82)68(18)34-49(75)69(19)45(30-35(3)4)56(79)67-50(39(11)12)62(85)70(20)46(31-36(5)6)55(78)64-42(16)54(77)65-43(17)58(81)71(21)47(32-37(7)8)60(83)72(22)48(33-38(9)10)61(84)73(23)51(40(13)14)63(86)74(52)24/h25,27-28,35-48,50-53,76H,1,26,29-34H2,2-24H3,(H,64,78)(H,65,77)(H,66,80)(H,67,79)/b28-27+/t41-,42+,43-,44+,45+,46+,47+,48+,50+,51+,52+,53-/m1/s1
InChI Key:
BICRTLVBTLFLRD-PTWUADNWSA-N
SMILES:
C=C/C=C/C[C@H]([C@H]([C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)O)C
UNII:
2PN063X6B1
Properties
Complexity:
2380  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
12  
Defined Bond Stereocenter Count:
1  
Exact Mass:
1213.841g/mol
Formal Charge:
0
Heavy Atom Count:
86  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
1214.646g/mol
Monoisotopic Mass:
1213.841g/mol
Rotatable Bond Count:
16  
Topological Polar Surface Area:
279A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.9  
Literature
Title Journal
The PROMISE study: a phase 2b multicenter study of voclosporin (ISA247) versus tacrolimus in de novo kidney transplantation. American journal of transplantation : official journal of the American Society of Transplantation and the American Society of Transplant Surgeons 20111201
Structural basis for the cyclophilin A binding affinity and immunosuppressive potency of E-ISA247 (voclosporin). Acta crystallographica. Section D, Biological crystallography 20110201
Novel immunosuppressive agents in kidney transplantation. Clinical nephrology 20100501
Next-generation calcineurin inhibitors for ophthalmic indications. Expert opinion on investigational drugs 20071001
ISA 247: trans-ISA 247, trans-R 1524, ISA(TX)247, ISAtx 247, ISATx247, LX 211, LX211, R 1524, R-1524. Drugs in R&D 20070101
A randomized, multicenter, double-blind, placebo-controlled phase 2 trial of ISA247 in patients with chronic plaque psoriasis. Journal of the American Academy of Dermatology 20060301
The novel calcineurin inhibitor ISA247: a more potent immunosuppressant than cyclosporine in vitro. Transplant international : official journal of the European Society for Organ Transplantation 20050501
Potential future therapies for psoriasis. Seminars in cutaneous medicine and surgery 20050301
Compared with cyclosporine, ISATX247 significantly prolongs renal-allograft survival in a nonhuman primate model. Transplantation 20040915
ISAtx-247 (Isotechnika/Roche). Current opinion in investigational drugs (London, England : 2000) 20040501
Properties