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 Molecular Weight: 543.46
AVAILABLE TO ORDER
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
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1ml
B426201-1ml
2

$164.90

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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.

Overview

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

Specifications

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
Specifications & Purity
Moligand™, 10mM in DMSO
Biochemical and Physiological Mechanisms

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.

Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Moligand™
Action Type
INHIBITOR
Mechanism of action
Glycine transporter 1 inhibitor
Product Properties
ALogP4
Names and Identifiers
Canonical SmilesCC(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
Isomeric 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
Molecular Weight 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
ClassDiazinanes
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
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
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)
Associated Targets(non-human)
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
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight543.500 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
Solution Calculators
Reviews

Customer Reviews

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