NIM811

Category	Hepatitis C Virus (HCV)
CAS	143205-42-9
Description	NIM811 is a dual inhibitor of mitochondrial permeability transition and cyclophilin. It exhibits potent in vitro inhibitory activity against hepatitis C virus (HCV).

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Product Information

Synonyms	(Melle-4)cyclosporin; Sdz-nim-811; NIM-811; NIM 811
Molecular Weight	1202.61
Molecular Formula	C62H111N11O12
Canonical SMILES	CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)C(C)CC)C)C
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
InChIKey	RPJPZDVUUKWPGT-FOIHOXPVSA-N
Boiling Point	1293.6±65.0 °C at 760 mmHg
Flash Point	736.2±34.3 °C
Purity	98.82%
Density	1.0±0.1 g/cm3
Solubility	In vitro: 10 mM in DMSO
Appearance	White to off-white (Solid)
Storage	Stored under nitrogen Powder -80°C 2 years -20°C 1 years * In solvent : -80°C, 6 months; -20°C, 1 month (stored under nitrogen)
Complexity	2330
Exact Mass	1201.84136802
Index Of Refraction	1.469
In Vitro	NIM811 induces a concentration-dependent reduction of HCV RNA in the replicon cells with an IC50 of 0.66 μM at 48 h. In addition, the combination of NIM811 with alpha IFN significantly enhances anti-HCV activities without causing any increase of cytotoxicity. NIM811 blocks the mitochondrial permeability transition induced by calcium and inorganic phosphate.
In Vivo	NIM811 prevents mitochondrial depolarization thereby attenuates liver injury, stimulates regeneration and improves liver function and survival.
PSA	292.76000
Target	Mitochondrial Metabolism; HCV
Vapor Pressure	0.0±0.6 mmHg at 25°C
XLogP3-AA	7.5