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Nodinitib-1

Nodinitib-1 structure

CAS No:
799264-47-4
Formula:
C14H13N3O2S
Chemical Name:
Nodinitib-1
Synonyms:
Nodinitib-1;1H-BenziMidazol-2-aMine, 1-[(4-Methylphenyl)sulfonyl]-;1-[(4-Methylphenyl)sulfonyl]-1H-benziMidazol-2-aMine;Noditinib-1;ML130 (Nodinitib-1);CID-1088438;1-[(4-Methylphenyl)sulfonyl]-1H-benzimidazol-2-ylamine
Categories:
Biochemical Engineering > Inhibitors

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Description

Nodinitib-1 (ML130;CID-1088438) is a NOD1 inhibitor with an IC50 of 0.56 μM.

1-(4-methylphenyl)sulfonyl-2-benzimidazolamine is a sulfonamide.

Nodinitib-1 Basic Attributes

Molecular Weight：

287.33692

Exact Mass：

287.072845

DSSTox ID：

DTXSID10360187

Characteristics

PSA：

86.4

XLogP3：

3.2

Appearance：

white to beige

Density：

1.4±0.1 g/cm3

Melting Point：

191-192 °C (decomp)

Boiling Point：

532.5±43.0°C at 760 mmHg

Flash Point：

275.8±28.2 °C

Refractive Index：

1.688

Water Solubility：

DMSO: >10mg/mL

Storage Conditions：

2-8°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

Marks：

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory.

Nodinitib-1 Use and Manufacturing

Noditinib-1 is a potent and selective inhibitor of NOD1-induced NF-κB activation. Mutations in NOD proteins have been associated with various inflammatory diseases and Noditinib-1 shows promise as a potential therapeutic agent.

Computed Properties

Molecular Weight:287.34
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:287.07284784
Monoisotopic Mass:287.07284784
Topological Polar Surface Area:86.4
Heavy Atom Count:20
Complexity:440
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of Nodinitib-1

Compound Net Biotechnology Inc. Contact Supplier

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Manufactory Supplier of 4-(Pentafluorothio)aniline,Pentafluoro,Pentafluorothio,Pentafluorosulfur,[4-(bromomethyl)phenyl]-pentafluoro-lambda6-sulfane,[4-(pentafluoro-sulfanyl)phenyl]acetic acid

799264-47-4 1-(4-methylphenyl)sulfonylbenzimidazol-2-amine

CAS No.: 799264-47-4

Grade: Industrial Grade

Content: 95%

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