Bitopertin - Moligand™, 10mM in DMSO , Glycine transporter 1 inhibitor, CAS No.845614-11-1, Glycine transporter 1 inhibitor

CAS: 845614-11-1 Cat. No.: B426201 分子式: C21H20F7N3O4S 分子量: 543.46
注文可能
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO
Synonyms
RG1678 | RO4917838 | DISC-1459 | 2-(o-Chlorophenyl)-2-(methylamino)cyclohexanone | MFCD18251496 | METHANONE, (4-(3-FLUORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL)-1-PIPERAZINYL)(5-(METHYLSULFONYL)-2-((1S)-2,2,2-TRIFLUORO-1-METHYLETHOXY)PHENYL)- | RO4917838 | RO-4
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
★
Size
USA
ドイツ (EU)*
Price
Qty
1ml
B426201-1ml
2 在庫あり
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$164.90

$241.90
保存 $77.00 (31.83%)
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Why this grade

Moligand™, 10mM in DMSO Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

概要

RG1678 (Bitopertin) is a potent and noncompetitive glycine reuptake inhibitor (GlyT1)

Specifications

同義語
RG1678 | RO4917838 | DISC-1459 | 2-(o-Chlorophenyl)-2-(methylamino)cyclohexanone | MFCD18251496 | METHANONE, (4-(3-FLUORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL)-1-PIPERAZINYL)(5-(METHYLSULFONYL)-2-((1S)-2,2,2-TRIFLUORO-1-METHYLETHOXY)PHENYL)- | RO4917838 | RO-4
仕様と純度
Moligand™, 10mM in DMSO
生化学的・生理学的メカニズム

RG1678 (Bitopertin) is a potent and noncompetitive glycine reuptake inhibitor (GlyT1). Recent Phase II data shows that RG1678 is effective in reducing the negative symptoms when given in combination with second generation antipsychotics.

保管条件
Store at -80°C
入荷
Dry ice packs + Cold packs
この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。
等級
Moligand™
アクションタイプ
INHIBITOR
作用メカニズム
Glycine transporter 1 inhibitor
製品の性質
ALogP4
名前と識別子
パブケム・シド528763585
カノニカル・スマイルCC(C(F)(F)F)OC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)F
IUPAC Name[4-[3-fluoro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-[5-methylsulfonyl-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]methanone
InChIKeyYUUGYIUSCYNSQR-LBPRGKRZSA-N
INCHI1S/C21H20F7N3O4S/c1-12(20(23,24)25)35-17-4-3-14(36(2,33)34)10-15(17)19(32)31-7-5-30(6-8-31)18-16(22)9-13(11-29-18)21(26,27)28/h3-4,9-12H,5-8H2,1-2H3/t12-/m0/s1
異性体SMILES C[C@@H](C(F)(F)F)OC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)F
分子量 543.46
Reaxy-Rn 12199870
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12199870&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
分類Diazinanes
SubclassPiperazines
Intermediate Tree Nodes Not available
Direct ParentPyridinylpiperazines
Alternative Parents N-arylpiperazines  Benzenesulfonyl compounds  Benzamides  Phenoxy compounds  Phenol ethers  Dialkylarylamines  Benzoyl derivatives  Alkyl aryl ethers  Aminopyridines and derivatives  Imidolactams  Aryl fluorides  Tertiary carboxylic acid amides  Sulfones  Heteroaromatic compounds  Azacyclic compounds  Hydrocarbon derivatives  Organic oxides  Alkyl fluorides  Organofluorides  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Pyridinylpiperazine - N-arylpiperazine - Benzamide - Benzenesulfonyl group - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Dialkylarylamine - Alkyl aryl ether - Aminopyridine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyridine - Imidolactam - Benzenoid - Tertiary carboxylic acid amide - Sulfonyl - Sulfone - Heteroaromatic compound - Carboxamide group - Azacycle - Ether - Carboxylic acid derivative - Organosulfur compound - Organohalogen compound - Organofluoride - Hydrocarbon derivative - Alkyl halide - Organic oxide - Alkyl fluoride - Organic nitrogen compound - Amine - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
説明This compound belongs to the class of organic compounds known as pyridinylpiperazines. These are compounds containing a pyridinylpiperazine skeleton, which consists of a pyridine linked (not fused) to a piperazine by a bond by a single bond that is not part of a ring.
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)
SLC6A9 Tchem Sodium- and chloride-dependent glycine transporter 1 (3 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
SLC6A5 Tchem Sodium- and chloride-dependent glycine transporter 2 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
関連ターゲット(非人間)
Slc6a9 Glycine transporter 1 (255 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 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543.500 g/mol
XLogP34.000
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count13
Rotatable Bond Count5
Exact Mass543.106 Da
Monoisotopic Mass543.106 Da
Topological Polar Surface Area88.200 Ų
Heavy Atom Count36
Formal Charge0
Complexity872.000
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
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