NE10790 - Moligand™, ≥98% , Inhibitor of farnesyl diphosphate synthase, CAS No.152831-36-2, Inhibitor of farnesyl diphosphate synthase

CAS: 152831-36-2 Cat. No.: N612202 분자식: C₈H₁₀NO₆P 분자량: 247.14 PubChem CID: 10014835

GRADE & PURITY Moligand™, ≥98%

Synonyms

2-hydroxy-2-phosphono-3-pyridin-3-ylpropanoic acid | DTXSID001249251 | 3-PEHPC3-PEHPC | 3-(3-Pyridyl)-2-hydroxy-2-phosphonopropanoic acid | 3-Pyridinepropanoic acid, alpha-hydroxy-alpha-phosphono- | AC-6171 | 2-hydroxy-2-phosphono-3-(pyridin-3-yl)propanoi

Storage

Protected from light,Store at -20°C,Argon charged,Desiccated

Shipped In

Ice chest + Ice pads

개요

NE 10790, a poor farnesyl pyrophosphate synthase inhibitor, is a phosphonocarboxylate analogue of the potent bisphosphonate risedronate and is a weak antiresorptive agent.

Specifications

동의어

2-hydroxy-2-phosphono-3-pyridin-3-ylpropanoic acid | DTXSID001249251 | 3-PEHPC3-PEHPC | 3-(3-Pyridyl)-2-hydroxy-2-phosphonopropanoic acid | 3-Pyridinepropanoic acid, alpha-hydroxy-alpha-phosphono- | AC-6171 | 2-hydroxy-2-phosphono-3-(pyridin-3-yl)propanoi

사양 및 순도

Moligand™, ≥98%

생화학 및 생리적 메커니즘

3-PEHPC (NE 10790), a phosphonocarboxylate analogue of the bisphosphonate risedronate, is a potent and selective inhibitor of geranylgeranyl transferase II (GGTase II). Potent and selective inhibitor of geranylgeranyl transferase II (GGTase II)

보관 조건

Protected from light,Store at -20°C,Argon charged,Desiccated

배송

Ice chest + Ice pads

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등급

Moligand™

작업 유형

INHIBITOR

작동 메커니즘

Inhibitor of farnesyl diphosphate synthase

순수함

≥98%

이름과 식별자

정식 스마일

C1=CC(=CN=C1)CC(C(=O)O)(O)P(=O)(O)O

IUPAC Name

2-hydroxy-2-phosphono-3-pyridin-3-ylpropanoic acid

InChIKey

FJVYPXVLXQXDHM-UHFFFAOYSA-N

INCHI

1S/C8H10NO6P/c10-7(11)8(12,16(13,14)15)4-6-2-1-3-9-5-6/h1-3,5,12H,4H2,(H,10,11)(H2,13,14,15)

이성체 SMILES

C1=CC(=CN=C1)CC(C(=O)O)(O)P(=O)(O)O

대체 CAS

152831-36-2

PubChem CID

10014835

MeSH 용어

2-(3-pyridinyl)-1-hydroxyethylidene-1,1-phosphonocarboxylic acid;3-PEHPC;NE 10790;NE-10790;NE10790

분자량

247.14

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Pyridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Pyridines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridines and derivatives
• Alternative Parents: Alpha hydroxy acids and derivatives Organic phosphonic acids Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organophosphorus compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alpha-hydroxy acid - Hydroxy acid - Pyridine - Organophosphonic acid - Organophosphonic acid derivative - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organophosphorus compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
• 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

관련 대상(인간)

FDPS Tclin Farnesyl pyrophosphate synthase (2 Activities)

Discover Target: FDPS

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

FDPS Tclin Farnesyl diphosphate synthase (1240 Activities)

Discover Target: FDPS

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

GGPS1 Tchem Geranylgeranyl pyrophosphate synthetase (715 Activities)

Discover Target: GGPS1

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

RPMI-8226 (44974 Activities)

Explore this target

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

RABGGTA Tdark Geranylgeranyl transferase type II alpha subunit (2 Activities)

Discover Target: RABGGTA

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

관련 대상(비인간)

Rattus norvegicus (775804 Activities)

Explore this target

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

J774 (3120 Activities)

Explore this target

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

작용 메커니즘

화학 및 물리적 특성

• 감도: light & Moisture sensitive
• 분자량: 247.140 g/mol
• XLogP3: -1.800
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 247.025 Da
• Monoisotopic Mass: 247.025 Da
• Topological Polar Surface Area: 128.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 316.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1