Voclosporin

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Voclosporin

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Catalog Number	PR515814014
CAS	515814-01-4
Description	Voclosporin (ISAtx-247) is a calcineurin (PP2B) (CN) inhibitor.
Synonyms	ISAtx-247
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
Molecular Weight	1214.62
Molecular Formula	C63H111N11O12
Canonical SMILES	C=C/C=C/C[C@@H](C)[C@H]([C@]1([H])N(C([C@](N(C([C@@H](N(C([C@](N(C([C@H](NC([C@@H](NC([C@H](CC(C)C)N(C)C([C@@](C(C)C)([H])NC([C@H](CC(C)C)N(C)C(CN(C)C([C@H](CC)NC1=O)=O)=O)=O)=O)=O)C)=O)C)=O)C)([H])CC(C)C)=O)C)CC(C)C)=O)C)([H])C(C)C)=O)C)O
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
Purity	>99.5%
Appearance	White to off-white solid
EC Number	881-570-5
Shipping	Generally, shipped at room temperature in continental US; may vary elsewhere.
Storage Conditions	Store at 4 °C

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