UCSF

ZINC08627583

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 28th, 2007 8 No

Popular Name: 4,5-dimethyl-1,3-thiazol-2-amine 4,5-dimethyl-1,3-thiazol-2-amine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 2289-75-0 , 71574-33-9 , 7170-76-5 , [2289-75-0] , [71574-33-9] , [7170-76-5]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.92 2.16 -5.59 2 2 0 39 128.2 0 ↓
Lo Low (pH 4.5-6) 0.92 2.43 -25.31 3 2 1 40 129.208 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 263 - 265 Enamine Building Blocks
MP 263...265 Enamine Building Blocks
MP 273 - 274 Enamine Building Blocks
Melting_Point 273-274? dec. Alfa-Aesar
Melting_Point 273-274° dec. Alfa-Aesar
MP 273...274 Enamine Building Blocks
Melting_Point 287-293? Alfa-Aesar
Melting_Point 287-293° Alfa-Aesar
melting_point 66 - 69 KeyOrganics
MP 66-69° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NOS1-7-E Nitric-oxide Synthase, Brain (cluster #7 Of 7), Eukaryotic Eukaryotes 380 1.12 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
NOS1_HUMAN P29475 Nitric-oxide Synthase, Brain, Human 380 1.12 Binding ≤ 1μM
NOS1_HUMAN P29475 Nitric-oxide Synthase, Brain, Human 380 1.12 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Nitric oxide stimulates guanylate cyclase
Phagosomal maturation (early endosomal stage)

Analogs ( Draw Identity 99% 90% 80% 70% )