Pipemidic acid - 10mM in Water , CAS No.51940-44-4

CAS: 51940-44-4 Cat. No.: P424455 Fórmula: C₁₄H₁₇N₅O₃ Peso molecular: 303.32 Número EC: 257-530-2

GRADE & PURITY 10mM in Water

Synonyms

Acido pipemidico [INN-Spanish] | Acidum pipemidicum [INN-Latin] | PIPEMIDIC ACID [WHO-DD] | NCGC00016866-01 | 8-Ethyl-5,8-dihydro-5-oxo-2-(1-piperazinyl)pyrido[2,3-d]pyrimidine-6-carboxylicacidtrihydrate | Pipemidic | Pipemidic acid (INN) | BIDD:GT0126 |

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

Pipemidic acid is used to study DNA damage and mutagenic activity. It has been used to induce articular lesions in the neonatal mouse and is used to study human lymphocyte blastogenesis and γ-interferon production

Specifications

Sinónimos

Acido pipemidico [INN-Spanish] | Acidum pipemidicum [INN-Latin] | PIPEMIDIC ACID [WHO-DD] | NCGC00016866-01 | 8-Ethyl-5,8-dihydro-5-oxo-2-(1-piperazinyl)pyrido[2,3-d]pyrimidine-6-carboxylicacidtrihydrate | Pipemidic | Pipemidic acid (INN) | BIDD:GT0126 |

Especificaciones y pureza

10mM in Water

Mecanismos bioquímicos y fisiológicos

ATP-sensitive K + channel blocker. Quinolone antibiotic agent. Induces insulin release. Shows broad spectrum antibacterial effects in vivo . Orally active.

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nombres e identificadores

• Sonrisas canónicas: CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCNCC3)C(=O)O
• IUPAC Name: 8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid
• InChIKey: JOHZPMXAZQZXHR-UHFFFAOYSA-N
• INCHI: 1S/C14H17N5O3/c1-2-18-8-10(13(21)22)11(20)9-7-16-14(17-12(9)18)19-5-3-15-4-6-19/h7-8,15H,2-6H2,1H3,(H,21,22)
• Isómeros SMILES: CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCNCC3)C(=O)O
• WGK Alemania: 2
• Peso molecular: 303.32
• Reaxy-Rn: 626575
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=626575&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-arylpiperazines
• Alternative Parents: Pyrido[2,3-d]pyrimidines Pyridinecarboxylic acids Dialkylarylamines Aminopyrimidines and derivatives Vinylogous amides Heteroaromatic compounds Amino acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-arylpiperazine - Pyrido[2,3-d]pyrimidine - Pyridopyrimidine - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Dialkylarylamine - Aminopyrimidine - Pyridine - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Azacycle - Secondary amine - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Amine - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group.
• External Descriptors: N-arylpiperazine - monocarboxylic acid - amino acid - quinolone antibiotic - pyridopyrimidine

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)

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

Discover Target: CYP2D6

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

TOP2B Tclin DNA topoisomerase II beta (959 Activities)

Discover Target: TOP2B

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

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)

Discover Target: CYP2C19

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

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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

PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

Discover Target: PMP22

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

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

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

USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)

Discover Target: USP1

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

Objetivos asociados (no humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Streptococcus pneumoniae (31063 Activities)

Explore this target

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

Plasmodium yoelii yoelii (73 Activities)

Explore this target

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

Pseudomonas aeruginosa (123386 Activities)

Explore this target

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

Enterobacter cloacae (7976 Activities)

Explore this target

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

Klebsiella pneumoniae (43867 Activities)

Explore this target

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

Proteus vulgaris (5823 Activities)

Explore this target

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

Salmonella typhimurium (15756 Activities)

Explore this target

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

Micrococcus luteus (7463 Activities)

Explore this target

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

Staphylococcus aureus (210822 Activities)

Explore this target

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

Staphylococcus epidermidis (22802 Activities)

Explore this target

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

Klebsiella aerogenes (4963 Activities)

Explore this target

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

Escherichia coli (133304 Activities)

Explore this target

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

Morganella morganii (1291 Activities)

Explore this target

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

Salmonella typhi (4293 Activities)

Explore this target

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

Serratia marcescens (3237 Activities)

Explore this target

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

Streptococcus pyogenes (16140 Activities)

Explore this target

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

Enterococcus hirae (484 Activities)

Explore this target

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

Bacillus subtilis (32866 Activities)

Explore this target

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

Priestia megaterium (1154 Activities)

Explore this target

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

Plasmodium falciparum (966862 Activities)

Explore this target

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

Mus musculus (284745 Activities)

Explore this target

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Bacillus spizizenii (1898 Activities)

Explore this target

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

gyrB DNA gyrase (2092 Activities)

Discover Target: gyrB

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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Heat and Light sensitive
• Peso molecular: 303.320 g/mol
• XLogP3: -2.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 303.133 Da
• Monoisotopic Mass: 303.133 Da
• Topological Polar Surface Area: 98.700 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 489.000
• 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

Referencias

1. Yunan Zhang, Yu Duan, Jin Su, Lixin Liu, Yanru Feng, Lili Wu, Lei Zhang, Yunjie Zhang, Dongyu Zou, Yingli Liu.  (2021)  Inspiration for revival of old drugs: improving solubility and avoiding hygroscopicity of pipemidic acid by forming two pharmaceutical salts based on charge-assisted hydrogen bond recognitions.  NEW JOURNAL OF CHEMISTRY,  45  (42): (19704-19713).  [PMID:] [10.1039/D1NJ03314J]

2. Furong Tang, Ting Zou, Ziyi Wang, Juan Zhang.  (2024)  Fabrication of fluorinated triazine-based covalent organic frameworks for selective extraction of fluoroquinolone in milk.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:38889582] [10.1016/j.chroma.2024.465078]

3. Lifang Lin, Jing Xu, Yihui Zhang, Yilin Chen, Lei Zhou, Shiyong Tao.  (2025)  Malic acid-mediated photo-Fenton system for enhanced pharmaceuticals degradation at neutral pH.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2025.134481]

4. Mantang Chen, Shucai Gao, Ruihong Liu, Xiaoyu Wang, Cong Nie, Fuwei Xie, Haidong Gao, Libin Wan.  (2025)  Imprinted metal-organic framework for selective extraction and determination of fluoroquinolone antibiotics in food samples.  LWT-FOOD SCIENCE AND TECHNOLOGY,      [PMID:] [10.1016/j.lwt.2025.117743]

5. Jing Xu, Si-Heng Luo, Chen-ru Xiong, Jia-hao Liu, Zeyu Zhao, Wei-qi Lin, Wei Zhang, Ping Guo, Cheng Pan, Quanlong Li, Zhong-Qun Tian, Bin Ren, Guo-Kun Liu.  (2025)  AI-Enhanced Rapid SERS Screening of Trace Quinolone Antibiotics across the Source-Pathway-Sink Ecosystem.  ANALYTICAL CHEMISTRY,      [PMID:41263298] [10.1021/acs.analchem.5c05040]

6. Luyao Jin, Jing Xu, Wei Cheng, Zufan Liu, Rémi Marsac, Charlotte Catrouillet, Shiyong Tao.  (2026)  Adsorption characteristics and integrated predictive modeling of quinolone antibiotics on urban river sediments.  Journal of Water Process Engineering,      [PMID:] [10.1016/j.jwpe.2026.110745]