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40045-50-9

40045-50-9 Structure

40045-50-9 Structure
IdentificationBack Directory
[Name]

5-[(5-Nitro-2-thiazolyl)thio]-1,3,4thiadiazol-2-amine
[CAS]

40045-50-9
[Synonyms]

SU 3327
Halicin
JNK Inhibitor XIII - CAS 40045-50-9 - Calbiochem
5-[(5-Nitro-2-thiazolyl)thio]-1,3,4thiadiazol-2-amine
5-((5-Nitrothiazol-2-yl)thio)-1,3,4-thiadiazol-2-amine
2-Amino-5-[(5-nitro-2-thiazolyl)thio]-1,3,4-thiadiazole
1,3,4-Thiadiazol-2-amine, 5-[(5-nitro-2-thiazolyl)thio]-
5-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-amine
JNK,Thiadiazole,SU-3327,TNF-α,Inhibitor,inhibit,SU 3327,p38α,SU3327,insulin,phosphorylation,substrate-competitive,JIP,protein-protein,PPI
[Molecular Formula]

C5H3N5O2S3
[MDL Number]

MFCD01927019
[MOL File]

40045-50-9.mol
[Molecular Weight]

261
Chemical PropertiesBack Directory
[Melting point ]

160 °C(dec.)
[Boiling point ]

549.8±42.0 °C(Predicted)
[density ]

1.88±0.1 g/cm3(Predicted)
[storage temp. ]

Store at RT
[solubility ]

DMSO : 62.5 mg/mL (239.19 mM; Need ultrasonic)
[form ]

Pale yellow solid
[pka]

0.65±0.10(Predicted)
[color ]

Light yellow to Amber to Dark green
[InChI]

InChI=1S/C5H3N5O2S3/c6-3-8-9-5(14-3)15-4-7-1-2(13-4)10(11)12/h1H,(H2,6,8)
[InChIKey]

NQQBNZBOOHHVQP-UHFFFAOYSA-N
[SMILES]

S1C(SC2=NC=C([N+]([O-])=O)S2)=NN=C1N
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
[WGK Germany ]

WGK 3
[HS Code ]

2934100090
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

SU 3327 is a JNK inhibitor.
[Definition]

ChEBI: Halicin is a member of the class of thiadiazoles that is 1,3,4-thiadiazol-2-amine which is substituted by a (5-nitro-1,3-thiazol-2-yl)sulfanediyl group at position 5. It is a c-Jun N-terminal kinase inhibitor (IC50 = 0.7uM) and exhibits antibacterial properties. It has a role as a c-Jun N-terminal kinase inhibitor and an antibacterial agent. It is a member of thiadiazoles, a member of 1,3-thiazoles, a primary amino compound, a C-nitro compound and an organic sulfide.
[in vivo]

Halicin (Compound 9; 25 mg/kg; intraperitoneal injection; male BKS.Cg-+Leprdb/+Leprdb/OlaHsd db/db mice) treatment possesses the ability to restore insulin sensitivity in mice models of diabetes[1].
Halicin (Compound 9) has favorable microsomal and plasma stability (T1/2 = 27 min)[1].

Animal Model:Male BKS.Cg-+Leprdb/+Leprdb/OlaHsd db/db mice (11-week-old ) injected with insulin[1]
Dosage:25 mg/kg
Administration:Intraperitoneal injection
Result:Resulted in a statistically significant reduction in blood glucose levels.
[storage]

Store at RT
Spectrum DetailBack Directory
[Spectrum Detail]

5-[(5-Nitro-2-thiazolyl)thio]-1,3,4thiadiazol-2-amine(40045-50-9)1HNMR
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