Succinylsulfathiazole - ≥97%(HPLC) , CAS No.116-43-8

CAS: 116-43-8 Cat. No.: S161063 Peso molecular: 355.38 Beilstein Registry Number: 27(3/4)4637 Número EC: 204-141-0 PubChem CID: 5315

GRADE & PURITY ≥97%(HPLC)

Synonyms

GUANICAR | Sulfasuccinil | Anhydrous Succinylsulfathiazole | Butanoic acid, 4-oxo-4-[[4-[(2-thiazolylamino)sulfonyl]phenyl]amino]- | HMS503M17 | HY-B0921 | KBio2_001869 | Spectrum2_001946 | AKOS002161889 | Prestwick0_000702 | REGID_for_CID_5315 | Spectrum

Storage

Room temperature

Shipped In

Normal

Descripción general

Succinylsulfathiazole is used to block the synthesis of folic acid. It is used to study folate deficiency. It is used to suppress folate production by bacteria in the intestine.

Specifications

Sinónimos

GUANICAR | Sulfasuccinil | Anhydrous Succinylsulfathiazole | Butanoic acid, 4-oxo-4-[[4-[(2-thiazolylamino)sulfonyl]phenyl]amino]- | HMS503M17 | HY-B0921 | KBio2_001869 | Spectrum2_001946 | AKOS002161889 | Prestwick0_000702 | REGID_for_CID_5315 | Spectrum

Especificaciones y pureza

≥97%(HPLC)

Mecanismos bioquímicos y fisiológicos

Succinylsulfathiazole is a competitive inhibitor of dihydropteroate synthetase. It is a dihydrofolate reductase (DHFR) inhibitor.

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Tipo de acción

INHIBITOR

Pureza

≥97%(HPLC)

Nombres e identificadores

• Pubchem Sid: 488179891
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488179891
• Sonrisas canónicas: C1=CC(=CC=C1NC(=O)CCC(=O)O)S(=O)(=O)NC2=NC=CS2
• IUPAC Name: 4-oxo-4-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]butanoic acid
• InChIKey: SKVLYVHULOWXTD-UHFFFAOYSA-N
• INCHI: 1S/C13H13N3O5S2/c17-11(5-6-12(18)19)15-9-1-3-10(4-2-9)23(20,21)16-13-14-7-8-22-13/h1-4,7-8H,5-6H2,(H,14,16)(H,15,17)(H,18,19)
• Isómeros SMILES: C1=CC(=CC=C1NC(=O)CCC(=O)O)S(=O)(=O)NC2=NC=CS2
• RTECS: WM4767000
• PubChem CID: 5315
• Peso molecular: 355.38
• Beilstein: 27(3/4)4637
• Reaxy-Rn: 349989

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: Anilides Benzenesulfonyl compounds N-arylamides Organosulfonamides Fatty amides Thiazoles Aminosulfonyl compounds Heteroaromatic compounds Secondary carboxylic acid amides Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzenesulfonamide - Anilide - Benzenesulfonyl group - N-arylamide - Fatty amide - Organosulfonic acid amide - Fatty acyl - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Azole - Sulfonyl - Aminosulfonyl compound - Thiazole - Carboxamide group - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
• External Descriptors: 1,3-thiazole

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Objetivos asociados (humanos)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

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CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

Discover Target: CYP2D6

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CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

Discover Target: CYP2C9

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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ABCB11 Tchem Bile salt export pump (2311 Activities)

Discover Target: ABCB11

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SMN1 Tchem Survival motor neuron protein (34246 Activities)

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LMNA Tbio Prelamin-A/C (36751 Activities)

Discover Target: LMNA

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PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

Discover Target: PMP22

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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

Discover Target: SLCO1B1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

Discover Target: SLCO1B3

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Objetivos asociados (no humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 355.400 g/mol
• XLogP3: -0.700
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 355.03 Da
• Monoisotopic Mass: 355.03 Da
• Topological Polar Surface Area: 162.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 526.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1