AMG-076 free base , CAS No.693823-79-9

CAS: 693823-79-9 Cat. No.: A669059 분자식: C26H33F3N2O2 분자량: 462.5 PubChem CID: 10004545
주문 가능
Synonyms
AMG-076 free base | UNII-HX4T7JEV3D | HX4T7JEV3D | Cyclohexanecarboxylic acid, 1-(2-((4aR,11R,11aS)-1,3,4,4a,5,6,11,11a-octahydro-11-methyl-9-(trifluoromethyl)-2H-pyrido(4,3-b)carbazol-2-yl)ethyl)- | DTXSID70219485 | WAOZNBXSEVIAGX-MBOZVWFJSA-N | BDBM5038
Storage
Room temperature
★
크기
USA
독일 (EU)*
가격
수량
1mg
A669059-1mg
주문제작 · 8~12주

US$571.90

US$857.90
저장 US$286.00 (33.34%)
5mg
A669059-5mg
주문제작 · 8~12주

US$1,999.90

US$2,999.90
저장 US$1,000.00 (33.33%)
Enter a quantity for the sizes you want to add.
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이 등급을 선택하는 이유

최소한의 기준선 간섭이 필요한 민감한 크로마토그래피 및 분석 워크플로우용.

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보관 및 배송

Room temperature 출고. 정확한 사양은 로트별 COA를 확인하세요.

📋

품질 문서

SDS, COA, 데이터시트, 사양서를 다운로드할 수 있습니다. 로트별 COA는 로트 번호 조회를 통해 확인할 수 있습니다.

📚

문헌적 근거

크로마토그래피, 유기 합성 및 교차 커플링 반응 분야의 동료 심사 논문 0편에서 인용되었습니다.

사양

동의어
AMG-076 free base | UNII-HX4T7JEV3D | HX4T7JEV3D | Cyclohexanecarboxylic acid, 1-(2-((4aR,11R,11aS)-1,3,4,4a,5,6,11,11a-octahydro-11-methyl-9-(trifluoromethyl)-2H-pyrido(4,3-b)carbazol-2-yl)ethyl)- | DTXSID70219485 | WAOZNBXSEVIAGX-MBOZVWFJSA-N | BDBM5038
보관 조건
Room temperature
작업 유형
ANTAGONIST
제품 특성
ALogP
3.8
이름과 식별자
정식 스마일
CC1C2CN(CCC2CC3=C1C4=C(N3)C=CC(=C4)C(F)(F)F)CCC5(CCCCC5)C(=O)O
IUPAC Name
1-[2-[(4aR,11R,11aS)-11-methyl-9-(trifluoromethyl)-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazol-2-yl]ethyl]cyclohexane-1-carboxylic acid
InChIKey
WAOZNBXSEVIAGX-MBOZVWFJSA-N
INCHI
1S/C26H33F3N2O2/c1-16-20-15-31(12-10-25(24(32)33)8-3-2-4-9-25)11-7-17(20)13-22-23(16)19-14-18(26(27,28)29)5-6-21(19)30-22/h5-6,14,16-17,20,30H,2-4,7-13,15H2,1H3,(H,32,33)/t16-,17-,20-/m1/s1
이성체 SMILES
C[C@@H]1[C@H]2CN(CC[C@@H]2CC3=C1C4=C(N3)C=CC(=C4)C(F)(F)F)CCC5(CCCCC5)C(=O)O
PubChem CID
10004545
분자량
462.5

문서

📋 안전 데이터 시트(SDS)

위험성, 취급, 보관 및 규제 준수를 포괄하는 종합 문서.

<<<<<<< HEAD SDS 다운로드 → ======= SDS 다운로드 → >>>>>>> release248-p3

✅ 분석 성적서(COA)

로트별 품질 데이터. 로트 번호를 입력하여 정확한 COA를 확인하세요.

COA 조회 →

📊 데이터시트

제품 사양 및 응용 분야에 대한 빠른 참조 요약.

데이터시트 보기 →

🔬 사양서

이 등급의 전체 품질 특성 및 합격 기준.

사양서 보기 →

고급 데이터

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
분류Indoles and derivatives
SubclassCarbazoles
Intermediate Tree Nodes Not available
Direct ParentCarbazoles
Alternative Parents 3-alkylindoles  Aralkylamines  Piperidines  Benzenoids  Pyrroles  Heteroaromatic compounds  Trialkylamines  Amino acids  Monocarboxylic acids and derivatives  Azacyclic compounds  Carboxylic acids  Alkyl fluorides  Organofluorides  Hydrocarbon derivatives  Carbonyl compounds  Organic oxides  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Carbazole - 3-alkylindole - Indole - Aralkylamine - Piperidine - Benzenoid - Heteroaromatic compound - Pyrrole - Amino acid or derivatives - Amino acid - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organofluoride - Organohalogen compound - Amine - Organic oxide - Alkyl halide - Alkyl fluoride - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
설명This compound belongs to the class of organic compounds known as carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring.
External Descriptors Not available
3D 구조
상호 작용 화학 구조 모델





관련 대상(인간)
MCHR1 Tchem Melanin-concentrating hormone receptor 1 (3 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CHRM2 Tclin Muscarinic acetylcholine receptor M2 (10671 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HTR1A Tclin Serotonin 1a (5-HT1a) receptor (14969 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADRA2A Tclin Alpha-2a adrenergic receptor (9450 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
DRD2 Tclin Dopamine D2 receptor (23596 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
DRD1 Tclin Dopamine D1 receptor (9720 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLC6A2 Tclin Norepinephrine transporter (10102 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HTR2A Tclin Serotonin 2a (5-HT2a) receptor (14758 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HTR2C Tclin Serotonin 2c (5-HT2c) receptor (11471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLC6A4 Tclin Serotonin transporter (12625 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
OPRM1 Tclin Mu opioid receptor (19785 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KCNH2 Tclin HERG (29587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADRA2C Tclin Alpha-2c adrenergic receptor (4876 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CHRM3 Tclin Muscarinic acetylcholine receptor M3 (7750 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MCHR1 Tchem Melanin-concentrating hormone receptor 1 (5587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MCHR2 Tchem Melanin-concentrating hormone receptor 2 (304 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
관련 대상(비인간)
Canis familiaris (36305 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rhesus monkey (3147 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cynomolgus monkey (4946 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
작용 메커니즘
인증서(CoA, COO, BSE/TSE 및 분석 차트)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
화학 및 물리적 특성
분자량462.500 g/mol
XLogP33.800
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass462.249 Da
Monoisotopic Mass462.249 Da
Topological Polar Surface Area56.300 Ų
Heavy Atom Count33
Formal Charge0
Complexity723.000
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
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