KDU731 - ≥98% , CAS No.1610610-48-4

CAS: 1610610-48-4 Cat. No.: K649480 분자식: C₂₂H₁₆N₆O₂ 분자량: 396.40 PubChem CID: 76281701

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

KDU731, an orally active C. parvum PI4K inhibitor with an IC 50 value of 25 nM, blocks Cryptosporidium infection in vitro and in vivo. KDU731 is a promising agent candidate for the treatment of diarrhea caused by Cryptosporidium and meets a broad range of safety .

In Vivo

KDU731 (orally administration; 7 or 10mg/kg; 16 days) has potent activity against Cryptosporidium in immunocompromised IFN-γ KO mice and dramatically reduces oocyst shedding. KDU731 (orally administration; 5 mg/kg; every 12 hours for 7 days) is tolerated in all calves, and treated calves shed significantly fewer oocysts than vehicle treated calves in their stool. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: 6-8 week old C57BL/6 IFN-γ-knockout mice with 10,000 oocysts Dosage: 7 or 10 mg/kg Administration: Orally administration; 7 or 10 mg/kg; 16 days Result: Resulted in significant reduction of oocyst shedding. Animal Model: Neonatal calves with 5 x 10 7 oocysts Dosage: 5 mg/kg Administration: Orally administration; 5 mg/kg; every 12 hours for 7 days Result: Resulted in significant reduction of oocyst shedding in treated calves in their stool.

Form:Solid

Specifications

사양 및 순도

≥98%

생화학 및 생리적 메커니즘

KDU731, an orally active C. parvum PI4K inhibitor with an IC 50 value of 25 nM, blocks Cryptosporidium infection in vitro and in vivo. KDU731 is a promising agent candidate for the treatment of diarrhea caused by Cryptosporidium and meets a broad

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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작업 유형

INHIBITOR

순수함

≥98%

이름과 식별자

• 정식 스마일: CN(C1=NC=C(C=C1)C#N)C(=O)C2=CC3=C(C=NN3C=C2)C4=CC=C(C=C4)C(=O)N
• IUPAC Name: 3-(4-carbamoylphenyl)-N-(5-cyanopyridin-2-yl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide
• InChIKey: YTIYJNWWLQSAAU-UHFFFAOYSA-N
• INCHI: 1S/C22H16N6O2/c1-27(20-7-2-14(11-23)12-25-20)22(30)17-8-9-28-19(10-17)18(13-26-28)15-3-5-16(6-4-15)21(24)29/h2-10,12-13H,1H3,(H2,24,29)
• 이성체 SMILES: CN(C1=NC=C(C=C1)C#N)C(=O)C2=CC3=C(C=NN3C=C2)C4=CC=C(C=C4)C(=O)N
• PubChem CID: 76281701
• MeSH 용어: KDU731
• 분자량: 396.40

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Azoles
      • Subclass Pyrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrazoles
• Alternative Parents: Pyridinecarboxamides Pyrazolopyridines Benzamides Benzoyl derivatives 3-pyridinecarbonitriles Imidolactams Tertiary carboxylic acid amides Heteroaromatic compounds Primary carboxylic acid amides Nitriles Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylpyrazole - Benzamide - Benzoic acid or derivatives - Pyridine carboxylic acid or derivatives - Pyridinecarboxamide - Pyrazolopyridine - Benzoyl - 3-pyridinecarbonitrile - Monocyclic benzene moiety - Imidolactam - Benzenoid - Pyridine - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Carbonitrile - Nitrile - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Cyanide - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
• 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

화학 및 물리적 특성

• 용해성: DMSO : 83.33 mg/mL (210.22 mM; Need ultrasonic)
• 분자량: 396.400 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 396.133 Da
• Monoisotopic Mass: 396.133 Da
• Topological Polar Surface Area: 117.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 697.000
• 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

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 1610610-48-4, the molecular formula is C22H16N6O2, and the molecular weight is 396.40 g/mol. InChIKey YTIYJNWWLQSAAU-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.