Valbenazine - Moligand™, ≥97% , Synaptic vesicular amine transporter inhibitor, CAS No.1025504-45-3, Synaptic vesicular amine transporter inhibitor

CAS: 1025504-45-3 Cat. No.: V171713 분자식: C24H38N2O4 분자량: 418.57 EC 번호: 808-278-2 PubChem CID: 24795069
주문 가능
등급 & 순도 Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥97%
Synonyms
(2R,3R,11bR)-3-isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-yl L-valinate|Mt-5199|VALBENAZINE [WHO-DD]|L-Valine (2R,3R,11bR)-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo[a]quinolizin-2-yl ester|Valbenazine|L-Valine, (2R,3R,11bR)-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo(a)quinolizin-2-yl ester|VALBENAZINE [MI]|valbenazinum|(S)-2-amino-3-methyl-butyric acid (2R,3R,11bR)-3-isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-yl ester|Dibloc|valbenazina|BENZENEPROPANOIC ACID, 4-(((TRANS-4-(AMINOMETHYL)CYCLOHEXYL)CARBONYL)OXY)-|NBI 98854|(2R,3R,11BR)-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydro-2H-benzo(a)quinolizin-2-yl l-valinate|L-Valine, (2R,3R,11bR)-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo[a]quinolizin-2-yl ester;L-Valine, (2R,3R,11bR)-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo[a]quinolizin-2-yl ester|Ingrezza|[(2R,3R,11bR)-9,10-dimethoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-yl] (2S)-2-amino-3-methylbutanoate|L-Valine, (2R,3R,11bR)-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo[a]quinolizin-2-yl ester|(2R,3R,11bR)-9,10-Dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydro-2H- benzo(a)quinolizin-2-yl L-valinate|(2R,3R,11bR)-9,10-dimethoxy-3-(2-methylpropyl)-1H,2H,3H,4H,6H,7H,11bH-pyrido[2,1-a]isoquinolin-2-yl (2S)-2-amino-3-methylbutanoate|NBI-98854|ValbenazineNBI-98854|Valbenazine (USAN/INN)|Valine 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo(a)quinolizin-2-yl ester|Valbenazine [USAN:INN]|Valbenazine [USAN]|[(2R,3R,11bR)-9,10-dimethoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl] (2S)-2-amino-3-methylbutanoate|CELECOXIB (USP MONOGRAPH)|VALBENAZINE [INN]
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
★
크기
USA
독일 (EU)*
가격
수량
1mg
V171713-1mg
3 재고 있음
—
US$65.90
5mg
V171713-5mg
3 재고 있음
—
US$189.90
10mg
V171713-10mg
3 재고 있음
—
US$301.90
25mg
V171713-25mg
2 재고 있음
—
US$555.90
50mg
V171713-50mg
1 재고 있음
—
US$841.90
100mg
V171713-100mg
1 재고 있음
—
US$1,189.90
Enter a quantity for the sizes you want to add.

사양

동의어
(2R,3R,11bR)-3-isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-yl L-valinate | Mt-5199 | VALBENAZINE [WHO-DD] | L-Valine (2R,3R,11bR)-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo[a]quinolizin-2-yl ester | Valbenazine | L-Valine, (2R,3R,11bR)-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-me Show more
사양 및 순도
Moligand™, ≥97%
보관 조건
Store at -20°C
배송
Ice chest + Ice pads
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등급
Moligand™
작업 유형
INHIBITOR
작동 메커니즘
Synaptic vesicular amine transporter inhibitor
순수함
≥97%
제품 특성
ALogP
4.3
이름과 식별자
Pubchem Sid
정식 스마일
CC(C)CC1CN2CCC3=CC(=C(C=C3C2CC1OC(=O)C(C(C)C)N)OC)OC
IUPAC Name
[(2R,3R,11bR)-9,10-dimethoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl] (2S)-2-amino-3-methylbutanoate
InChIKey
GEJDGVNQKABXKG-CFKGEZKQSA-N
INCHI
1S/C24H38N2O4/c1-14(2)9-17-13-26-8-7-16-10-21(28-5)22(29-6)11-18(16)19(26)12-20(17)30-24(27)23(25)15(3)4/h10-11,14-15,17,19-20,23H,7-9,12-13,25H2,1-6H3/t17-,19-,20-,23+/m1/s1
이성체 SMILES
CC(C)C[C@@H]1CN2CCC3=CC(=C(C=C3[C@H]2C[C@H]1OC(=O)[C@H](C(C)C)N)OC)OC
PubChem CID
24795069
분자량
418.57

고급 데이터

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic acids and derivatives
분류Carboxylic acids and derivatives
SubclassAmino acids, peptides, and analogues
Intermediate Tree Nodes Amino acids and derivatives - Alpha amino acids and derivatives
Direct ParentAlpha amino acid esters
Alternative Parents Valine and derivatives  Tetrahydroisoquinolines  Anisoles  Fatty acid esters  Aralkylamines  Alkyl aryl ethers  Piperidines  Trialkylamines  Carboxylic acid esters  Monocarboxylic acids and derivatives  Azacyclic compounds  Organic oxides  Monoalkylamines  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Alpha-amino acid ester - Valine or derivatives - Tetrahydroisoquinoline - Anisole - Phenol ether - Alkyl aryl ether - Fatty acid ester - Aralkylamine - Piperidine - Fatty acyl - Benzenoid - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Organonitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Primary amine - Amine - Aromatic heteropolycyclic compound
설명This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
External Descriptors Not available
3D 구조
상호 작용 화학 구조 모델





관련 대상(인간)
SLC18A2 Tclin Synaptic vesicular amine transporter (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
KCNH2 Tclin Potassium voltage-gated channel subfamily H member 2 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
F2 Tclin Thrombin (11687 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ESR1 Tclin Estrogen receptor alpha (17718 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PGR Tclin Progesterone receptor (8562 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
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
AR Tclin Androgen Receptor (11781 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GABRA1 Tclin GABA receptor alpha-1 subunit (399 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MAOA Tclin Monoamine oxidase A (11911 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
DRD1 Tclin Dopamine D1 receptor (9720 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ACHE Tclin Acetylcholinesterase (18204 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLC6A2 Tclin Norepinephrine transporter (10102 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLC6A4 Tclin Serotonin transporter (12625 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADRA1A Tclin Alpha-1a adrenergic receptor (8359 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
OPRM1 Tclin Mu opioid receptor (19785 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
DRD3 Tclin Dopamine D3 receptor (14368 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLC6A3 Tclin Dopamine transporter (10535 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLC18A2 Tclin Synaptic vesicular amine transporter (118 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KCNH2 Tclin HERG (29587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PDE3A Tclin Phosphodiesterase 3A (3309 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HTR2B Tclin Serotonin 2b (5-HT2b) receptor (10323 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TBXA2R Tclin Thromboxane A2 receptor (5717 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PDE4A Tclin Phosphodiesterase 4A (1943 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADORA3 Tchem Adenosine A3 receptor (15931 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:

Find and download the COA for your product by matching the lot number on the packaging.

12 results found

Lot NumberCertificate Type날짜항목
G2410658G2410658Certificate of AnalysisMar 14, 2024 V171713
G2410659G2410659Certificate of AnalysisMar 14, 2024 V171713
G2410660G2410660Certificate of AnalysisMar 14, 2024 V171713
G2410661G2410661Certificate of AnalysisMar 14, 2024 V171713
G2410662G2410662Certificate of AnalysisMar 14, 2024 V171713
G2410663G2410663Certificate of AnalysisMar 14, 2024 V171713
G2410664G2410664Certificate of AnalysisMar 14, 2024 V171713
G2410665G2410665Certificate of AnalysisMar 14, 2024 V171713
G2410666G2410666Certificate of AnalysisMar 14, 2024 V171713
G2410667G2410667Certificate of AnalysisMar 14, 2024 V171713
G2410668G2410668Certificate of AnalysisMar 14, 2024 V171713
G2410669G2410669Certificate of AnalysisMar 14, 2024 V171713
화학 및 물리적 특성
분자량418.600 g/mol
XLogP34.300
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass418.283 Da
Monoisotopic Mass418.283 Da
Topological Polar Surface Area74.000 Ų
Heavy Atom Count30
Formal Charge0
Complexity569.000
Isotope Atom Count0
Defined Atom Stereocenter Count4
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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