biricodar - Moligand™ , Multidrug resistance-associated protein 1 inhibitor, CAS No.159997-94-1, Multidrug resistance-associated protein 1 inhibitor

CAS: 159997-94-1 Cat. No.: B608096 分子式: C34H41N3O7 分子量: 603.7 PubChem CID: 3037617
注文可能
グレード&純度 Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
Synonyms
BIRICODAR [MI]|2-Piperidinecarboxylic acid, 1-(oxo(3,4,5-trimethoxyphenyl)acetyl)-, 4-(3-pyridinyl)-1-(3-(3-pyridinyl)propyl)butyl ester, (S)-|4-(3-Pyridyl)-1-(3-(3-pyridyl)propyl)butyl(S)-1-((3,4,5-trimethoxyphenyl)glyoxyloyl)pipecolate|Biricodar|(S)-1-[2-Oxo-2-(3,4,5-trimethoxy-phenyl)-acetyl]-piperidine-2-carboxylic acid 4-pyridin-3-yl-1-(3-pyridin-3-yl-propyl)-butyl ester|VX710|VX-710|Biricodar [INN]|Incel|Vx 710|1,7-dipyridin-3-ylheptan-4-yl (2S)-1-[2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate|4-(3-Pyridyl)-1-(3-(-pyridyl)propyl)butyl(S)-1-((3,4,5-trimethoxyphenyl)glyoxyloyl)pipecolate|BIRICODAR [WHO-DD]
Storage
Room temperature
★
サイズ
USA
ドイツ (EU)*
価格
個数
5mg
B608096-5mg
受注生産 · 8~12週間
$1,142.90
25mg
B608096-25mg
受注生産 · 8~12週間
$1,714.90
Enter a quantity for the sizes you want to add.

仕様

同義語
BIRICODAR [MI] | 2-Piperidinecarboxylic acid, 1-(oxo(3,4,5-trimethoxyphenyl)acetyl)-, 4-(3-pyridinyl)-1-(3-(3-pyridinyl)propyl)butyl ester, (S)- | 4-(3-Pyridyl)-1-(3-(3-pyridyl)propyl)butyl(S)-1-((3,4,5-trimethoxyphenyl)glyoxyloyl)pipecolate | Biricodar | (S)-1-[2-Oxo-2-(3,4,5-trimethoxy-phenyl)-acetyl]-piperidine-2-carboxylic acid 4-pyri もっと見る
仕様と純度
Moligand™
保管条件
Room temperature
等級
Moligand™
アクションタイプ
INHIBITOR
作用メカニズム
Multidrug resistance-associated protein 1 inhibitor
製品の性質
ALogP
5.2
名前と識別子
カノニカル・スマイル
COc1cc(cc(c1OC)OC)C(=O)C(=O)N1CCCC[C@H]1C(=O)OC(CCCc1cnccc1)CCCc1cnccc1
IUPAC Name
1,7-dipyridin-3-ylheptan-4-yl (2S)-1-[2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate
InChIKey
CGVWPQOFHSAKRR-NDEPHWFRSA-N
INCHI
1S/C34H41N3O7/c1-41-29-20-26(21-30(42-2)32(29)43-3)31(38)33(39)37-19-5-4-16-28(37)34(40)44-27(14-6-10-24-12-8-17-35-22-24)15-7-11-25-13-9-18-36-23-25/h8-9,12-13,17-18,20-23,27-28H,4-7,10-11,14-16,19H2,1-3H3/t28-/m0/s1
異性体SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)OC(CCCC3=CN=CC=C3)CCCC4=CN=CC=C4
PubChem CID
3037617
分子量
603.7

詳細データ

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic acids and derivatives
分類Carboxylic 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 Phenylacetamides  Piperidinecarboxylic acids  N-acylpiperidines  Phenoxy compounds  Anisoles  Aryl ketones  Benzoyl derivatives  Methoxybenzenes  Alkyl aryl ethers  Pyridines and derivatives  Tertiary carboxylic acid amides  Heteroaromatic compounds  Carboxylic acid esters  Azacyclic compounds  Monocarboxylic acids and derivatives  Organopnictogen compounds  Organic oxides  Organonitrogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Alpha-amino acid ester - Phenylacetamide - N-acyl-piperidine - Piperidinecarboxylic acid - Anisole - Benzoyl - Phenoxy compound - Phenol ether - Aryl ketone - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Pyridine - Piperidine - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Ketone - Azacycle - Organoheterocyclic compound - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organopnictogen compound - Organooxygen compound - Organic oxide - Organonitrogen compound - Aromatic heteromonocyclic compound
説明This 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
3 D構造
インタラクティブ化学構造モデル





関連ターゲット(人間)
ABCB1 Tchem Multidrug resistance protein 1 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
FKBP1A Tclin Peptidyl-prolyl cis-trans isomerase FKBP1A (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ABCC1 Tchem Multidrug resistance-associated protein 1 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
FKBP1A Tclin FK506-binding protein 1A (1014 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
FKBP4 Tchem FK506 binding protein 4 (257 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
関連ターゲット(非人間)
Abcc1 Multidrug resistance-associated protein 1 (42 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Abcb1b P-glycoprotein 1 (174 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
作用メカニズム
証明書(CoA、COO、BSE/TSEと分析図)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
化学的性質と物理的性質
分子量603.700 g/mol
XLogP35.200
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count16
Exact Mass603.294 Da
Monoisotopic Mass603.294 Da
Topological Polar Surface Area117.000 Ų
Heavy Atom Count44
Formal Charge0
Complexity866.000
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
ソリューション計算機
レビュー

顧客レビュー

グレードの選択でお困りですか?

当社のグレード選定ガイドでは、カタログ内のすべてのバリエーションについて、純度、安定剤の状態、用途への適合性を網羅しています。

Moligand™ グレードガイドを見る →

Shall we send you a message when we have discounts available?

Remind me later

Thank you! Please check your email inbox to confirm.

Oops! Notifications are disabled.