BT-13 - ≥99% , CAS No.924537-98-4

CAS: 924537-98-4 Cat. No.: B649052 분자식: C₂₃H₂₇F₄N₃O₄S 분자량: 517.54 PubChem CID: 46088379

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

BT-13 is a potent and selective glial cell line-derived neurotrophic factor (GDNF) receptor RET agonist independently of GFLs, promoting neurite growth from sensory neurons in vitro and attenuates experimental neuropathy in the Rat

In Vitro

BT-13 stimulates phosphorylation of RET, as well as RET-dependent intracellular signaling, but activated neither NGF receptor TrkA nor BDNF receptor TrkB nor intracellular signaling in the absence of RET. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

BT-13 (20 and 25mg/kg in rats induced by ligation of left L5 and L6 spinal nerves) has a slight antinociceptive/antihyperalgesic effect and protected DRG neurons in rats with surgery-induced neuropathy . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Rats induced by ligation of left L5 and L6 spinal nerves . Dosage: 5-25 mg/kg, dissolved in sesame oil containing 5% DMSO. Administration: Subcutaneous injections on post-surgical day 1, 3, 5, 8, 10, and 12. Result: 20 and 25mg/kg decreased mechanical hypersensitivity and normalized expression of sensory neuron markers in dorsal root ganglia.

Form:Solid

IC50& Target:GDNF receptor RET

Specifications

사양 및 순도

≥99%

생화학 및 생리적 메커니즘

BT-13 is a potent and selective glial cell line-derived neurotrophic factor (GDNF) receptor RET agonist independently of GFLs, promoting neurite growth from sensory neurons in vitro and attenuates experimental neuropathy in the Rat.

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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작업 유형

AGONIST

순수함

≥99%

이름과 식별자

• 정식 스마일: CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)N2CCN(CC2)C(=O)C3=C(C=C(C=C3)F)C(F)(F)F
• IUPAC Name: N,N-diethyl-3-[4-[4-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-4-methoxybenzenesulfonamide
• InChIKey: GTDJOGZANHPKMR-UHFFFAOYSA-N
• INCHI: 1S/C23H27F4N3O4S/c1-4-30(5-2)35(32,33)17-7-9-21(34-3)20(15-17)28-10-12-29(13-11-28)22(31)18-8-6-16(24)14-19(18)23(25,26)27/h6-9,14-15H,4-5,10-13H2,1-3H3
• 이성체 SMILES: CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)N2CCN(CC2)C(=O)C3=C(C=C(C=C3)F)C(F)(F)F
• PubChem CID: 46088379
• 분자량: 517.54

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperazines
• Alternative Parents: N-arylpiperazines Aminobenzenesulfonamides Trifluoromethylbenzenes 4-halobenzoic acids and derivatives Aminophenyl ethers Benzamides Benzenesulfonyl compounds Methoxyanilines Phenoxy compounds Anisoles Benzoyl derivatives Dialkylarylamines Methoxybenzenes Alkyl aryl ethers Fluorobenzenes Aryl fluorides Organosulfonamides Aminosulfonyl compounds Tertiary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Organic oxides Organofluorides Alkyl fluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperazine - N-arylpiperazine - Aminobenzenesulfonamide - Benzenesulfonamide - Trifluoromethylbenzene - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Aminophenyl ether - Benzoic acid or derivatives - Benzenesulfonyl group - Methoxyaniline - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Methoxybenzene - Aniline or substituted anilines - Dialkylarylamine - Alkyl aryl ether - Halobenzene - Fluorobenzene - Organosulfonic acid amide - Benzenoid - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Tertiary carboxylic acid amide - Tertiary amine - Amino acid or derivatives - Carboxamide group - Azacycle - Ether - Carboxylic acid derivative - Organic oxygen compound - Amine - Alkyl fluoride - Organohalogen compound - Organofluoride - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organic oxide - Alkyl halide - Organic nitrogen compound - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine 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 : 25 mg/mL (48.31 mM; Need ultrasonic)
• 분자량: 517.500 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 7
• Exact Mass: 517.166 Da
• Monoisotopic Mass: 517.166 Da
• Topological Polar Surface Area: 78.500 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 811.000
• 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