MK-8325

CAT: 0931-T24480-03Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0931-T24480-03Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1334314-19-0

Target

HCV Protease

Related Pathways

Microbiology/Virology, Proteases/Proteasome

Purity

>99.99%

Bioactivity

MK-8325 is a potent and orally available HCV NS5A inhibitor with replicative activity against a wide range of genotypes.MK-8325 has demonstrated bioavailability in in vitro and in vivo assays and has a favorable overall ADME profile.

Smiles

COC(N[C@@H](C(C)C)C(N1[C@@H](C[Si](C)(C1)C)C2=NC3=C(C4=CC=C(C5=CC=C(C6=CN=C([C@H]7N(CC(F)(C7)F)C([C@H](C(C)C)NC(OC)=O)=O)N6)C=C5)C=C4C=C3)N2)=O)=O.Cl.Cl

Molecular Formula

C43H54Cl2F2N8O6Si

Molecular Weight

915.93

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Mk-8325

potent macrocyclic HCV NS5A inhibitor; structure in first source

CAS Number	1334314-19-0
PubChem CID	126480214
IUPAC Name	methyl N-[(2S)-1-[(2S)-4,4-difluoro-2-[5-[4-[2-[(5R)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-3,3-dimethyl-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;dihydrochloride
Molecular Formula	C43H54Cl2F2N8O6Si
Molecular Weight	915.9
Topological Polar Surface Area	175
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	12
Heavy Atom Count	62
Formal Charge	0
Complexity	1570

SMILES

CC(C)[C@@H](C(=O)N1CC(C[C@H]1C2=NC=C(N2)C3=CC=C(C=C3)C4=CC5=C(C=C4)C6=C(C=C5)NC(=N6)[C@@H]7C[Si](CN7C(=O)[C@H](C(C)C)NC(=O)OC)(C)C)(F)F)NC(=O)OC.Cl.Cl

InChI

InChI=1S/C43H52F2N8O6Si.2ClH/c1-23(2)34(50-41(56)58-5)39(54)52-21-43(44,45)18-32(52)37-46-19-31(48-37)26-11-9-25(10-12-26)27-13-15-29-28(17-27)14-16-30-36(29)49-38(47-30)33-20-60(7,8)22-53(33)40(55)35(24(3)4)51-42(57)59-6;;/h9-17,19,23-24,32-35H,18,20-22H2,1-8H3,(H,46,48)(H,47,49)(H,50,56)(H,51,57);2*1H/t32-,33-,34-,35-;;/m0../s1

InChIKey

IUEFJCXFZOOGJY-RYYFUXLTSA-N

Chemical Structure

2D Structure

CAS: 1334314-19-0

CID: 126480214

Formula: C43H54Cl2F2N8O6Si

MW: 915.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	915.9
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	12
Exact Mass	914.3280697
Monoisotopic Mass	914.3280697
Topological Polar Surface Area	175 Å²
Heavy Atom Count	62
Formal Charge	0
Complexity	1570
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	3
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
MBS3601331	MK-8325
M11332-01	MK-8325 dihydrochloride
HY-120713-01	MK-8325 (dihydrochloride)
324068-01	MK
167912	Midkine (MK, MK1, MK-1, MK 1) discontinued
MBS131426	MK-4101 (MK 4101; MK4101)
MBS131418	Doravirine (MK-1439; MK1439; MK 1439)
A3615-10	MK-3207
BA5198-1	MK-5046
A3618-5.1	MK-5172

MK-8325

Chemical Information

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