TCS OX2 29 - 몰리간드™, ≥95% , Antagonist of OX 2 receptor, CAS No.372523-75-6, Antagonist of OX 2 receptor

CAS: 372523-75-6 Cat. No.: T275857 분자식: C₂₃H₃₁N₃O₃ 분자량: 397.5 PubChem CID: 10408514

GRADE & PURITY Moligand™, ≥95%

Synonyms

(2S)-1-(3,4-디하이드로-6,7-디메톡시-2(1H)-이소퀴놀리닐)-3,3-디메틸-2-((4-피리디닐메틸)아미노)-1-부타논 | AKOS032944970 | NCGC00370876-01 | KB-11822 | DTXSID801028419 | Isoquinoline, 2-((2S)-3,3-디메틸-1-옥소-2-((4-피리디닐메틸)아미노)부틸)-1,2,3,

Storage

20°C, 건조 보관

Shipped In

아이스 박스 + 아이스 패드

개요

4°C에서 보관하십시오. 건조하지 않은 곳에 보관하세요. 최대 12개월까지 보관할 수 있습니다.

Specifications

동의어

(2S)-1-(3,4-디하이드로-6,7-디메톡시-2(1H)-이소퀴놀리닐)-3,3-디메틸-2-((4-피리디닐메틸)아미노)-1-부타논 | AKOS032944970 | NCGC00370876-01 | KB-11822 | DTXSID801028419 | Isoquinoline, 2-((2S)-3,3-디메틸-1-옥소-2-((4-피리디닐메틸)아미노)부틸)-1,2,3,

사양 및 순도

몰리간드™, ≥95%

생화학 및 생리적 메커니즘

TCS OX2 29 또는 TCS-OX2-29는 강력하고 선택적인 오렉신 2 수용체(Ox2R, Ox2-R, Ox-2-R) 길항제(IC50 = 40 nM/Ox2R, >10 μM/Ox1R)로, 50개의 다른 수용체, 이온 채널 및 수송체에 대한 효능은 거의 없습니다(10 μM에서 <30% 저해). TCS OX2

출처

Synthetic

보관 조건

20°C, 건조 보관

배송

아이스 박스 + 아이스 패드

등급

Moligand™

작업 유형

ANTAGONIST

작동 메커니즘

Antagonist of OX 2 receptor

참고

가능하면 당일에 용액을 준비하여 사용하는 것이 좋습니다. 그러나 미리 원액을 만들어야 하는 경우에는 -20°C에서 단단히 밀봉된 바이알에 소량씩 보관하는 것이 좋습니다. 일반적으로 최대 한 달 동안 사용할 수 있습니다. 사용하기 전에 바이알을 열기 전에 제품을 실온에서 최소 1시간 동안 평형을 이루도록 하는 것이 좋습니다. 용해도, 사용법 및 취급에 대한 추가 정보가 필요하신가요? 자주 묻는 질문(FAQ) 페이지에서 자세한 내용을 확인하세요.

순수함

≥95%

이름과 식별자

Pubchem Sid

504765442

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504765442

정식 스마일

CC(C)(C)C(C(=O)N1CCC2=CC(=C(C=C2C1)OC)OC)NCC3=CC=NC=C3

IUPAC Name

(2S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-2-(pyridin-4-ylmethylamino)butan-1-one

InChIKey

COFVZFLCAOUMJT-OAQYLSRUSA-N

INCHI

1S/C23H31N3O3/c1-23(2,3)21(25-14-16-6-9-24-10-7-16)22(27)26-11-8-17-12-19(28-4)20(29-5)13-18(17)15-26/h6-7,9-10,12-13,21,25H,8,11,14-15H2,1-5H3/t21-/m1/s1

이성체 SMILES

CC(C)(C)[C@@H](C(=O)N1CCC2=CC(=C(C=C2C1)OC)OC)NCC3=CC=NC=C3

PubChem CID

10408514

분자량

397.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Valine and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Valine and derivatives
• Alternative Parents: Alpha amino acid amides Tetrahydroisoquinolines Anisoles Aralkylamines Alkyl aryl ethers Pyridines and derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Valine or derivatives - Alpha-amino acid amide - Tetrahydroisoquinoline - Anisole - Phenol ether - Alkyl aryl ether - Aralkylamine - Pyridine - Benzenoid - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Secondary aliphatic amine - Ether - Azacycle - Organoheterocyclic compound - Secondary amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Amine - Organic oxide - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as valine and derivatives. These are compounds containing valine or a derivative thereof resulting from reaction of valine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• 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)

HCRTR2 Tclin Orexin receptor type 2 (3 Activities)

Discover Target: HCRTR2

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

HCRTR1 Tclin Orexin receptor 1 (5435 Activities)

Discover Target: HCRTR1

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

HCRTR2 Tclin Orexin receptor 2 (5902 Activities)

Discover Target: HCRTR2

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

관련 대상(비인간)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in water to 100 mM and in DMSO to 10mM
• 분자량: 397.500 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 397.237 Da
• Monoisotopic Mass: 397.237 Da
• Topological Polar Surface Area: 63.700 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 530.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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 ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at ?20 °C, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

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 372523-75-6, the molecular formula is C23H31N3O3, and the molecular weight is 397.5 g/mol. InChIKey COFVZFLCAOUMJT-OAQYLSRUSA-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.