Products for Research Use Only
RegisterLogin

MK-5172 sodium salt

CAT: 0607-A3621-2Size: 2 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0607-A3621-2Size:2 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
HCV NS3/4a protease inhibitor
CAS Number
1425038-27-2
Sequence
MK5172 sodium salt;MK 5172 sodium salt
Field of Research
Proteases NS3 4a protease
Purity
0.98
Solubility
Soluble in DMSO
Smiles
CC(C)(C1C(N2CC(OC3=NC4=C(N=C3CCCCCC5CC5OC(N1)=O)C=CC(OC)=C4)CC2C(NC6(C(NS(=O)(C7CC7)=O)=O)CC6C=C)=O)=O)C.[Na+]
Molecular Formula
C38H50N6NaO9S+
Molecular Weight
789.89
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Grazoprevir sodium
CAS Number1425038-27-2
PubChem CID72187677
IUPAC Namesodium [(1R,2S)-1-[[(1R,18R,20R,24S,27S)-24-tert-butyl-7-methoxy-22,25-dioxo-2,21-dioxa-4,11,23,26-tetrazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-27-carbonyl]amino]-2-ethenylcyclopropanecarbonyl]-cyclopropylsulfonylazanide
Molecular FormulaC38H49N6NaO9S
Molecular Weight788.9
Topological Polar Surface Area193
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count8
Heavy Atom Count55
Formal Charge0
Complexity1590
SMILES
CC(C)(C)[C@H]1C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@]3(C[C@H]3C=C)C(=O)[N-]S(=O)(=O)C4CC4)OC5=NC6=C(C=CC(=C6)OC)N=C5CCCCC[C@@H]7C[C@H]7OC(=O)N1.[Na+]
InChI
InChI=1S/C38H50N6O9S.Na/c1-6-22-19-38(22,35(47)43-54(49,50)25-13-14-25)42-32(45)29-18-24-20-44(29)34(46)31(37(2,3)4)41-36(48)53-30-16-21(30)10-8-7-9-11-27-33(52-24)40-28-17-23(51-5)12-15-26(28)39-27;/h6,12,15,17,21-22,24-25,29-31H,1,7-11,13-14,16,18-20H2,2-5H3,(H3,41,42,43,45,47,48);/q;+1/p-1/t21-,22-,24-,29+,30-,31-,38-;/m1./s1
InChIKey
HWKZBIVJZNPHGU-CIAYNJNFSA-M
Chemical Structure
2D Structure
2D structure of Grazoprevir sodium
CAS: 1425038-27-2
CID: 72187677
Formula: C38H49N6NaO9S
MW: 788.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight788.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count8
Exact Mass788.31794262
Monoisotopic Mass788.31794262
Topological Polar Surface Area193 Ų
Heavy Atom Count55
Formal Charge0
Complexity1590
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Related Products

CatalogName
A3620-100MK-5172 potassium salt
A3620-5MK-5172 potassium salt
A3620-5.1MK-5172 potassium salt
A3620-2MK-5172 potassium salt
A3620-10MK-5172 potassium salt
A3620-50MK-5172 potassium salt
A3620-1MK-5172 potassium salt
A3618-5.1MK-5172
A3618-100MK-5172
A3618-5MK-5172

Alternative Products

CatalogName
AHC03827-01MK-5172 sodium salt
A15168-50MK-5172 sodium salt 50mg
A15168-100MK-5172 sodium salt 100mg
A15168-25MK-5172 sodium salt 25mg
A15168-5MK-5172 sodium salt 5mg
A15168-10MK-5172 sodium salt 10mg
HY-10414-01MK-2894 (sodium salt)
MBS3600533-01MK-571 sodium salt
MBS386813-01MK-2894 sodium salt
BML-RA109-0025MK-571 . sodium salt

Popular Products