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L-368,899 hydrochloride

CAT: 0013-GTR19205724-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19205724-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
L-368,899 hydrochloride is a selective, orally bioavailable oxytocin receptor (OXTR) antagonist. It is used in research to investigate oxytocin-mediated pathways, including studies on preterm labor, social behavior, and stress responses, utilizing both in vitro binding assays and in vivo animal models.
CAS Number
160312-62-9
Product Name Alternative
L 368,899 hydrochloride, OXReceptor, OXTR, OX Receptor, L368,899 hydrochloride, L-368,899 Hydrochloride, L-368,899 HCl, L-368899 hydrochloride, human uterus oxytocin receptor, rat uterus oxytocin receptor
Field of Research
Metabolism Research, Neuroscience, Pharmacology & Drug Discovery
Purity
99.59% (May vary between batches)
Solubility
DMSO:150 mg/mL (253.71 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:5 mg/mL (8.46 mM) ; H2O:2 mg/mL (3.38 mM)
Smiles
Cl.[H][C@@]12CC[C@] (CS (=O) (=O) N3CCN (CC3) c3ccccc3C) (C (C1) NC (=O) [C@H] (N) CCS (C) (=O) =O) C2 (C) C
Molecular Formula
C26H43ClN4O5S2
Molecular Weight
591.23
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(2S)-2-Amino-N-[(2S)-7,7-dimethyl-1-[[4-(2-methylphenyl)piperazin-1-yl]sulfonylmethyl]-2-bicyclo[2.2.1]heptanyl]-4-methylsulfonylbutanamide;hydrochloride
CAS Number160312-62-9
PubChem CID90488775
IUPAC Name(2S)-2-amino-N-[(2S)-7,7-dimethyl-1-[[4-(2-methylphenyl)piperazin-1-yl]sulfonylmethyl]-2-bicyclo[2.2.1]heptanyl]-4-methylsulfonylbutanamide;hydrochloride
Molecular FormulaC26H43ClN4O5S2
Molecular Weight591.2
Topological Polar Surface Area147
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count38
Formal Charge0
Complexity1040
SMILES
CC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)CC34CCC(C3(C)C)C[C@@H]4NC(=O)[C@H](CCS(=O)(=O)C)N.Cl
InChI
InChI=1S/C26H42N4O5S2.ClH/c1-19-7-5-6-8-22(19)29-12-14-30(15-13-29)37(34,35)18-26-11-9-20(25(26,2)3)17-23(26)28-24(31)21(27)10-16-36(4,32)33;/h5-8,20-21,23H,9-18,27H2,1-4H3,(H,28,31);1H/t20?,21-,23-,26?;/m0./s1
InChIKey
GIUFQWFJHXXXEQ-PHSYAEQHSA-N
Chemical Structure
2D Structure
2D structure of (2S)-2-Amino-N-[(2S)-7,7-dimethyl-1-[[4-(2-methylphenyl)piperazin-1-yl]sulfonylmethyl]-2-bicyclo[2.2.1]heptanyl]-4-methylsulfonylbutanamide;hydrochloride
CAS: 160312-62-9
CID: 90488775
Formula: C26H43ClN4O5S2
MW: 591.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight591.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass590.2363405
Monoisotopic Mass590.2363405
Topological Polar Surface Area147 Ų
Heavy Atom Count38
Formal Charge0
Complexity1040
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
T11794-01L-368,899 hydrochloride
MBS3844295-01L-368, 899 hydrochloride
A19843-100L-368,899 hydrochloride 100mg
A19843-25L-368,899 hydrochloride 25mg
A19843-10L-368,899 hydrochloride 10mg
A19843-5L-368,899 hydrochloride 5mg
A19843-1L-368,899 hydrochloride 1mg
A19843-50L-368,899 hydrochloride 50mg
A19843-2L-368,899 hydrochloride 2mg
A19843-10mM-DL-368,899 hydrochloride 10mM * 1mL in DMSO

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