N-Phthaloylglycine - ≥95% , CAS No.4702-13-0

CAS: 4702-13-0 Cat. No.: P140158 Fórmula: C₁₀H₇NO₄ Peso molecular: 205.17 Beilstein Registry Number: 184174 Número CE: 225-177-3 PubChem CID: 20825

GRADE & PURITY ≥95%

Synonyms

Q27264991 | EINECS 225-177-3 | 2phthalimidoacetic acid | 2-phthalimidoacetic acid | N-Phthaloylglycine Phthalimidoacetic acid | N-(Carboxymethyl)phthalimide | N-(Carboxymethyl)-phthalimide | N-Phthalimidoacetic Acid | 2-Isoindolineacetic acid,3-dioxo- | N

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Q27264991 | EINECS 225-177-3 | 2phthalimidoacetic acid | 2-phthalimidoacetic acid | N-Phthaloylglycine Phthalimidoacetic acid | N-(Carboxymethyl)phthalimide | N-(Carboxymethyl)-phthalimide | N-Phthalimidoacetic Acid | 2-Isoindolineacetic acid,3-dioxo- | N

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥95%

Nomes e identificadores

Pubchem Sid

488182646

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182646

Sorrisos canónicos

C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)O

IUPAC Name

2-(1,3-dioxoisoindol-2-yl)acetic acid

InChIKey

WQINSVOOIJDOLJ-UHFFFAOYSA-N

INCHI

1S/C10H7NO4/c12-8(13)5-11-9(14)6-3-1-2-4-7(6)10(11)15/h1-4H,5H2,(H,12,13)

SMILES isoméricas

C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)O

WGK Alemanha

3

RTECS

NR3439000

PubChem CID

20825

Peso molecular

205.17

Beilstein

184174

Reaxy-Rn

184174

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives
      • Subclass Indolyl carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Indolyl carboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolyl carboxylic acids and derivatives
• Alternative Parents: Phthalimides Alpha amino acids and derivatives Isoindoles Indoles N-substituted carboxylic acid imides Benzenoids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indolyl carboxylic acid derivative - Phthalimide - Alpha-amino acid or derivatives - Isoindolone - Indole - Isoindoline - Isoindole - Isoindole or derivatives - Benzenoid - Carboxylic acid imide, n-substituted - Carboxylic acid imide - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as indolyl carboxylic acids and derivatives. These are compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an indole ring.
• External Descriptors: Not available

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

Alvos associados (humanos)

CA12 Tclin Carbonic anhydrase 12 (1 Activities)

Discover Target: CA12

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CA9 Tclin Carbonic anhydrase 9 (1 Activities)

Discover Target: CA9

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CA2 Tclin Carbonic anhydrase II (17698 Activities)

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

DNMT1 Tclin DNA (cytosine-5)-methyltransferase 1 (978 Activities)

Discover Target: DNMT1

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CA1 Tclin Carbonic anhydrase I (13240 Activities)

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CA12 Tclin Carbonic anhydrase XII (6231 Activities)

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CA9 Tclin Carbonic anhydrase IX (8255 Activities)

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HCT-8 (3484 Activities)

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SF-295 (48000 Activities)

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MDA-MB-435 (38290 Activities)

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Alvos associados (não humanos)

Pseudomonas aeruginosa (123386 Activities)

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Mus musculus (284745 Activities)

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Splenocyte (1641 Activities)

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pigA Heme oxygenase (252 Activities)

Discover Target: pigA

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Mecanismos de ação

Propriedades químicas e físicas

• Ponto de fusão (°C): 194.0-198.0℃
• Peso molecular: 205.170 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 205.038 Da
• Monoisotopic Mass: 205.038 Da
• Topological Polar Surface Area: 74.700 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 301.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 4702-13-0, the molecular formula is C10H7NO4, and the molecular weight is 205.17 g/mol. InChIKey WQINSVOOIJDOLJ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.