N,N-bis(2-chloroethyl)-2-oxo-1,3-dithia-2$l^C7H14Cl2NOPS2-phosphacyclohexan-2-amine

Modify Date: 2025-09-23 22:08:07

N,N-bis(2-chloroethyl)-2-oxo-1,3-dithia-2$l^C7H14Cl2NOPS2-phosphacyclohexan-2-amine Structure
N,N-bis(2-chloroethyl)-2-oxo-1,3-dithia-2$l^C7H14Cl2NOPS2-phosphacyclohexan-2-amine structure
Common Name N,N-bis(2-chloroethyl)-2-oxo-1,3-dithia-2$l^C7H14Cl2NOPS2-phosphacyclohexan-2-amine
CAS Number 2091-07-8 Molecular Weight 294.20200
Density 1.4g/cm3 Boiling Point 404.5ºC at 760 mmHg
Molecular Formula C7H14Cl2NOPS2 Melting Point N/A
MSDS N/A Flash Point 198.4ºC

 Names

Name 2-(bis(2-chloroethyl)amino)-1,3,2-dithiaphosphinane 2-oxide

 Chemical & Physical Properties

Density 1.4g/cm3
Boiling Point 404.5ºC at 760 mmHg
Molecular Formula C7H14Cl2NOPS2
Molecular Weight 294.20200
Flash Point 198.4ºC
Exact Mass 292.96300
PSA 80.72000
LogP 3.74420
Vapour Pressure 9.42E-07mmHg at 25°C
Index of Refraction 1.569
InChIKey VXPMOPZBNZGVDN-UHFFFAOYSA-N
SMILES O=P1(N(CCCl)CCCl)SCCCS1

 Precursor & DownStream

Precursor  2

DownStream  0

 Bioassay

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Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1100
Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1101
Name: Schnurri-3 Inhibitors: specific inducers of adult bone formation Measured in Cell-Bas...
Source: Broad Institute
Target: N/A
External Id: 2134-01_Inhibitor_SinglePoint_HTS_Activity_Set2
Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
Name: High throughput screen for small molecule inhibitors of a hypoxia-regulated fluoresce...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: N/A
External Id: HMS1149-MLP
Name: Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste...
Source: Broad Institute
Target: N/A
External Id: 7124-01_Inhibitor_SinglePoint_HTS_Activity
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