Products for Research Use Only
RegisterLogin

NIM258

CAT: 0013-GTR19274489-02Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19274489-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
NIM258 is a potent nonimmunosuppressive cyclophilin inhibitor, with a Kd of 1.2 nM for cyclophilin A, and demonstrates anti-HCV activity with an EC50 of 40 nM. It is applicable in research related to HCV infection.
CAS Number
1589093-01-5
Smiles
[C@H] (CN1CCN (CCOC) CC1) (C) [C@]2 (C (=O) N[C@@H] ([C@@H] (C) C) C (=O) N (C) [C@@H] (CC (C) C) C (=O) N[C@@H] (C) C (=O) N[C@H] (C) C (=O) N (C) [C@@H] (CC (C) C) C (=O) N (C) [C@@H] (CC (C) C) C (=O) N (C) [C@@H] ([C@H] (C) C) C (=O) N (C) [C@@] ([C@@H] ([C@@H] (C/C=C/C) C) O) (C (=O) N[C@@H] (CC) C (=O) N (C) [C@H] (C) C (=O) N2C) [H]) [H]
Molecular Formula
C69H125N13O13
Molecular Weight
1344.84
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(3S,6S,9S,12R,15S,18S,21S,24S,27R,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-24-[(2R)-1-[4-(2-methoxyethyl)piperazin-1-yl]propan-2-yl]-1,4,7,10,12,15,19,25,27,28-decamethyl-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
CAS Number1589093-01-5
PubChem CID90142551
IUPAC Name(3S,6S,9S,12R,15S,18S,21S,24S,27R,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-24-[(2R)-1-[4-(2-methoxyethyl)piperazin-1-yl]propan-2-yl]-1,4,7,10,12,15,19,25,27,28-decamethyl-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
Molecular FormulaC69H125N13O13
Molecular Weight1344.8
XLogP6.7
Topological Polar Surface Area295
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count15
Rotatable Bond Count19
Heavy Atom Count95
Formal Charge0
Complexity2600
SMILES
CC[C@H]1C(=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)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)N1)[C@@H]([C@H](C)C/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)[C@H](C)CN2CCN(CC2)CCOC)C)C)C
InChI
InChI=1S/C69H125N13O13/c1-26-28-29-45(13)58(83)57-62(87)72-50(27-2)65(90)74(18)49(17)64(89)79(23)56(46(14)39-82-32-30-81(31-33-82)34-35-95-25)61(86)73-54(43(9)10)68(93)75(19)51(36-40(3)4)60(85)70-47(15)59(84)71-48(16)63(88)76(20)52(37-41(5)6)66(91)77(21)53(38-42(7)8)67(92)78(22)55(44(11)12)69(94)80(57)24/h26,28,40-58,83H,27,29-39H2,1-25H3,(H,70,85)(H,71,84)(H,72,87)(H,73,86)/b28-26+/t45-,46-,47+,48-,49-,50+,51+,52+,53+,54+,55+,56+,57+,58-/m1/s1
InChIKey
KQZKQPCMHFSLEK-ITINGCSBSA-N
Chemical Structure
2D Structure
2D structure of (3S,6S,9S,12R,15S,18S,21S,24S,27R,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-24-[(2R)-1-[4-(2-methoxyethyl)piperazin-1-yl]propan-2-yl]-1,4,7,10,12,15,19,25,27,28-decamethyl-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
CAS: 1589093-01-5
CID: 90142551
Formula: C69H125N13O13
MW: 1344.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1344.8
XLogP36.7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count15
Rotatable Bond Count19
Exact Mass1343.95198109
Monoisotopic Mass1343.95198109
Topological Polar Surface Area295 Ų
Heavy Atom Count95
Formal Charge0
Complexity2600
Isotope Atom Count0
Defined Atom Stereocenter Count14
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-128924NIM258

Popular Products