HX 630 - ≥98%(HPLC) , CAS No.188844-52-2

CAS: 188844-52-2 Cat. No.: H286706 분자식: C₂₈H₂₇NO₂S 분자량: 441.58

등급 & 순도 ≥98%(HPLC)

Synonyms

AKOS024457869 | BDBM50061618 | NCGC00370944-01 | HX 630 | HY-108520 | FT-0669247 | HX630 | HX-630 | 4-(7,7,10,10-Tetramethyl-7,8,9,10-tetrahydro-5-thia-13-aza-benzo[4,5]cyclohepta[1,2-b]naphthalen-12-yl)-benzoic acid | 4-(7,8,9,10-Tetrahydro-7,7,10,10-tet

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

사양

동의어

AKOS024457869 | BDBM50061618 | NCGC00370944-01 | HX 630 | HY-108520 | FT-0669247 | HX630 | HX-630 | 4-(7,7,10,10-Tetramethyl-7,8,9,10-tetrahydro-5-thia-13-aza-benzo[4,5]cyclohepta[1,2-b]naphthalen-12-yl)-benzoic acid | 4-(7,8,9,10-Tetrahydro-7,7,10,10-tet

사양 및 순도

≥98%(HPLC)

생화학 및 생리적 메커니즘

RXR agonist. Acts as a retinoid synergist; enhances the potency of AM 80 in a HL-60 cell differentiation assay.

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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작업 유형

AGONIST

순수함

≥98%(HPLC)

이름과 식별자

정식 스마일

CC1(CCC(C2=C1C=C3C(=C2)SC4=CC=CC=C4N=C3C5=CC=C(C=C5)C(=O)O)(C)C)C

IUPAC Name

4-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1,5]benzothiazepin-12-yl)benzoic acid

InChIKey

PFGCWQPTOKPRRK-UHFFFAOYSA-N

INCHI

1S/C28H27NO2S/c1-27(2)13-14-28(3,4)21-16-24-19(15-20(21)27)25(17-9-11-18(12-10-17)26(30)31)29-22-7-5-6-8-23(22)32-24/h5-12,15-16H,13-14H2,1-4H3,(H,30,31)

이성체 SMILES

CC1(CCC(C2=C1C=C3C(=C2)SC4=CC=CC=C4N=C3C5=CC=C(C=C5)C(=O)O)(C)C)C

분자량

441.58

Reaxy-Rn

7891093

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7891093&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Benzothiazepines
      • Subclass Dibenzothiazepines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Benzothiazepines
• Subclass: Dibenzothiazepines
• Intermediate Tree Nodes: Not available
• Direct Parent: Dibenzothiazepines
• Alternative Parents: Diarylthioethers Tetralins Benzoic acids Benzoyl derivatives Ketimines Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dibenzothiazepine - Diarylthioether - Tetralin - Benzoic acid or derivatives - Benzoic acid - Aryl thioether - Benzoyl - Monocyclic benzene moiety - Benzenoid - Ketimine - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Thioether - Organic oxygen compound - Organic nitrogen compound - Imine - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as dibenzothiazepines. These are compounds containing a dibenzothiazepine moiety, which consists of two benzene connected by a thiazepine ring.
• 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)

RARA Tclin Retinoic acid receptor alpha (1324 Activities)

Discover Target: RARA

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

RXRG Tclin Retinoid X receptor gamma (646 Activities)

Discover Target: RXRG

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

RARB Tclin Retinoic acid receptor beta (1232 Activities)

Discover Target: RARB

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

RXRA Tclin Retinoid X receptor alpha (3637 Activities)

Discover Target: RXRA

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

RXRB Tclin Retinoid X receptor beta (726 Activities)

Discover Target: RXRB

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Solvent:DMSO, Max Conc. mg/mL: 22.08, Max Conc. mM: 50
• 분자량: 441.600 g/mol
• XLogP3: 7.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 441.176 Da
• Monoisotopic Mass: 441.176 Da
• Topological Polar Surface Area: 75.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 751.000
• 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, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. 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 188844-52-2, the molecular formula is C??H??NO?S, and the molecular weight is 441.58 g/mol. InChIKey PFGCWQPTOKPRRK-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.