NITD-688

CAT: 0804-HY-138543-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-138543-02Size:5 mg

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Description

NITD-688 is an orally active pan-serotype inhibitor of the dengue virus NS4B protein. NITD-688 can be used in the research of dengue virus (DENV) [1].

CAS Number

2407227-31-8

Product Name Alternative

EYU-688

UNSPSC

12352005

Target

Dengue Virus; Flavivirus; Virus Protease

Type

Reference compound

Related Pathways

Anti-infection

Applications

COVID-19-anti-virus

Field of Research

Infection

Assay Protocol

https://www.medchemexpress.com/nitd-688.html

Concentration

10mM

Purity

98.04

Solubility

DMSO : 100 mg/mL (ultrasonic; warming; heat to 60°C)

Smiles

N#CC(C(CN1CC2CCCCC2)=C(CC(C)1C)S3)=C3NC(CC(C=C4)=CC=C4[S](N)(=O)=O)=O

Molecular Formula

C25H32N4O3S2

Molecular Weight

500.68

References & Citations

[1]Moquin SA, et al. NITD-688, a pan-serotype inhibitor of the dengue virus NS4B protein, shows favorable pharmacokinetics and efficacy in preclinical animal models. Sci Transl Med. 2021 Feb 3;13 (579) :eabb2181.

Shipping Conditions

Room Temperature

Storage Conditions

-20°C, 3 years; 4°C, 2 years (Powder)

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Chemical Information

Nitd-688

CAS Number	2407227-31-8
PubChem CID	146279852
IUPAC Name	N-[3-cyano-5-(cyclohexylmethyl)-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyridin-2-yl]-2-(4-sulfamoylphenyl)acetamide
Molecular Formula	C25H32N4O3S2
Molecular Weight	500.7
XLogP	4.4
Topological Polar Surface Area	153
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Heavy Atom Count	34
Formal Charge	0
Complexity	880

SMILES

CC1(CC2=C(CN1CC3CCCCC3)C(=C(S2)NC(=O)CC4=CC=C(C=C4)S(=O)(=O)N)C#N)C

InChI

InChI=1S/C25H32N4O3S2/c1-25(2)13-22-21(16-29(25)15-18-6-4-3-5-7-18)20(14-26)24(33-22)28-23(30)12-17-8-10-19(11-9-17)34(27,31)32/h8-11,18H,3-7,12-13,15-16H2,1-2H3,(H,28,30)(H2,27,31,32)

InChIKey

CIWCVIPQAHRJNY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2407227-31-8

CID: 146279852

Formula: C25H32N4O3S2

MW: 500.7

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	500.7
XLogP3	4.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	500.19158324
Monoisotopic Mass	500.19158324
Topological Polar Surface Area	153 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	880
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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HY-W999678	CRBN ligand-688
HY-R03510A-01	Mmu-miR-688 agomir
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Alternative Products

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BA1616-1	NITD-688
MBS3602349-01	NITD-916
GTR19156378-01	NITD-2
M12348	NITD-564
BA1289-100	NITD-349
T71235-01	NITD-203
MBS3602025-01	NITD-304

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