DSP-1053

CAT: 1410-M10599-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:1410-M10599-02Size:5 mg

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Description

DSP-1053 is a novel potent serotonin reuptake (SERT) inhibitor with 5-HT1A partial agonistic activity that binds to human serotonin transporter and 5-HT1A receptor with Ki of 1.02 and 5.05 nM, respectively.

CAS Number

1176326-78-5

Stability

≥ 2 years

Purity

>98% (HPLC)

Weight

660.62

Molecular Formula

C32H38BrNO7S

Notes

Research use only, not for human use.

Receptor

5-HT Receptor

Chemical Information

DSP-1053 (benzenesulfonate)

CAS Number	1176326-78-5
PubChem CID	86641481
IUPAC Name	benzenesulfonic acid;6-[2-[4-[[4-bromo-3-(2-methoxyethoxy)phenyl]methyl]piperidin-1-yl]ethyl]-2,3-dihydrochromen-4-one
Molecular Formula	C32H38BrNO7S
Molecular Weight	660.6
Topological Polar Surface Area	111
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	10
Heavy Atom Count	42
Formal Charge	0
Complexity	766

SMILES

COCCOC1=C(C=CC(=C1)CC2CCN(CC2)CCC3=CC4=C(C=C3)OCCC4=O)Br.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C26H32BrNO4.C6H6O3S/c1-30-14-15-32-26-18-21(2-4-23(26)27)16-20-7-11-28(12-8-20)10-6-19-3-5-25-22(17-19)24(29)9-13-31-25;7-10(8,9)6-4-2-1-3-5-6/h2-5,17-18,20H,6-16H2,1H3;1-5H,(H,7,8,9)

InChIKey

UVZRSKPRJFFXHO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1176326-78-5

CID: 86641481

Formula: C32H38BrNO7S

MW: 660.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	660.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	10
Exact Mass	659.15524
Monoisotopic Mass	659.15524
Topological Polar Surface Area	111 Å²
Heavy Atom Count	42
Formal Charge	0
Complexity	766
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
BA5025-5.1	DSP-1053
HY-111419A	DSP-1053 (benzenesulfonate)
A20037-50	DSP-1053 50mg
A20037-25	DSP-1053 25mg
A20037-10	DSP-1053 10mg
A20037-5	DSP-1053 5mg
A20037-1	DSP-1053 1mg
T72220-01	DSP-1053 benzenesulfonate
A20037-100	DSP-1053 100mg
T9901A-780-01	GEN-1053

DSP-1053

Chemical Information

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