Bitopertin

CAT: 0607-A3242-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0607-A3242-50Size:50 mg

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Description

Glycine reuptake inhibitor(GlyT1)

CAS Number

845614-11-1

Product Name Alternative

[4-[3-fluoro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-[5-methylsulfonyl-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]methanone

Sequence

RG1678;RO4917838;RG-1678;RG 1678;RO-4917838;RO 4917838

Field of Research

Membrane Transporter Ion Channel GlyT1

Purity

0.997

Form

A crystalline solid

Solubility

insoluble in H2O; ≥17.94 mg/mL in EtOH; ≥88.9 mg/mL in DMSO with ultrasonic

Smiles

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

Molecular Formula

C21H20F7N3O4S

Molecular Weight

543.46

Shipping Conditions

Blue ice

Storage Conditions

Store at -20°C.

Chemical Information

Bitopertin

Bitopertin has been used in trials studying the treatment of Schizophrenia and Obsessive-Compulsive Disorder.

CAS Number	845614-11-1
PubChem CID	24946690
IUPAC Name	[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-[5-methylsulfonyl-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]methanone
Molecular Formula	C21H20F7N3O4S
Molecular Weight	543.5
XLogP	4
Topological Polar Surface Area	88.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	5
Heavy Atom Count	36
Formal Charge	0
Complexity	872

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

InChI

InChI=1S/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

InChIKey

YUUGYIUSCYNSQR-LBPRGKRZSA-N

Chemical Structure

2D Structure

CAS: 845614-11-1

CID: 24946690

Formula: C21H20F7N3O4S

MW: 543.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	543.5
XLogP3	4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	5
Exact Mass	543.10627444
Monoisotopic Mass	543.10627444
Topological Polar Surface Area	88.2 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	872
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
T6788-01	Bitopertin
A15021-25	Bitopertin 25mg
A15021-2	Bitopertin 2mg
CS-T-99353	Bitopertin-d8
HY-10809R-01	Bitopertin (Standard)
A15021-100	Bitopertin 100mg
A15021-50	Bitopertin 50mg
A15021-10	Bitopertin 10mg
A15021-5	Bitopertin 5mg
VIB61412-01	Bitopertin R enantiomer

Bitopertin

Chemical Information

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