ITMN4077

CAT: 0013-GTR19165673-03Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19165673-03Size:25 mg

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

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Description

ITMN4077 is a small molecule antiviral compound that inhibits Hepatitis C virus replication. It demonstrates activity in vitro with an EC50 of 2.131 μM against an HCV subgenomic replicon in HuH7 cells, supporting its use in HCV virology and drug discovery research.

CAS Number

790305-05-4

Product Name Alternative

ITMN 4077, ITMN4077, ITMN-4077, Antiviral

Field of Research

Immunology & Inflammation, Infectious Disease & Virology, Protein Biochemistry

Purity

98.85% (May vary between batches)

Solubility

DMSO:55 mg/mL (96.72 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (3.52 mM)

Smiles

[H][C@@]12C[C@]1 (NC (=O) [C@]1 ([H]) C[C@@H] (O) CN1C (=O) [C@H] (CCCCC\C=C/2) NC (=O) OC (C) (C) C) C (=O) NS (=O) (=O) C1CC1

Molecular Formula

C26H40N4O8S

Molecular Weight

568.68

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

tert-butyl ((2R,6S,13aS,14aR,16aS,Z)-14a-((cyclopropylsulfonyl)carbamoyl)-2-hydroxy-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl)carbamate

CAS Number	790305-05-4
PubChem CID	58798563
IUPAC Name	tert-butyl N-[(1S,4R,6S,7Z,14S,18R)-4-(cyclopropylsulfonylcarbamoyl)-18-hydroxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate
Molecular Formula	C26H40N4O8S
Molecular Weight	568.7
XLogP	1.6
Topological Polar Surface Area	180
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Heavy Atom Count	39
Formal Charge	0
Complexity	1120

SMILES

CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)O)C(=O)NS(=O)(=O)C4CC4

InChI

InChI=1S/C26H40N4O8S/c1-25(2,3)38-24(35)27-19-10-8-6-4-5-7-9-16-14-26(16,23(34)29-39(36,37)18-11-12-18)28-21(32)20-13-17(31)15-30(20)22(19)33/h7,9,16-20,31H,4-6,8,10-15H2,1-3H3,(H,27,35)(H,28,32)(H,29,34)/b9-7-/t16-,17-,19+,20+,26-/m1/s1

InChIKey

MXGKXZHTCMUVEE-JXUUZEIMSA-N

Chemical Structure

2D Structure

CAS: 790305-05-4

CID: 58798563

Formula: C26H40N4O8S

MW: 568.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	568.7
XLogP3	1.6
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Exact Mass	568.25668542
Monoisotopic Mass	568.25668542
Topological Polar Surface Area	180 Å²
Heavy Atom Count	39
Formal Charge	0
Complexity	1120
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
BUP11006-01	ITMN4077

ITMN4077

Chemical Information

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