DPPE Fumarate , CAS No.98774-23-3

CAS: 98774-23-3 Cat. No.: D350282 Molecular Weight: 399.49
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Synonyms
CAS-98774-23-3 | Ethanamine, N,N-diethyl-2-(4-(phenylmethyl)phenoxy)- | N,N-Diethyl-2-((4-phenylmethyl)phenoxy)ethanamine | 2-(4-benzylphenoxy)-N,N-diethylethanamine | Hydrazine sulfate salt, p.a., ACS reagent, 99.0% | Tesmilifene | BDBM50085260 | UNII-I4
Storage
Store at -20°C,Desiccated
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
10mg
D350282-10mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$160.90
50mg
D350282-50mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$613.90
Enter a quantity for the sizes you want to add.
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C,Desiccated Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

DPPE Fumarate has high affinity for the anti-estrogen binding site. Inhibits histamine binding at the intracellular histamine (Hlc) site. DPPE Fumarate does not bind to the estrogen receptor.

Specifications

Synonyms
CAS-98774-23-3 | Ethanamine, N, N-diethyl-2-(4-(phenylmethyl)phenoxy)- | N, N-Diethyl-2-((4-phenylmethyl)phenoxy)ethanamine | 2-(4-benzylphenoxy)-N, N-diethylethanamine | Hydrazine sulfate salt, p.a., ACS reagent, 99.0% | Tesmilifene | BDBM50085260 | UNII-I4
Storage
Store at -20°C, Desiccated
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Action Type
MODULATOR
Names and Identifiers
Canonical SmilesCCN(CC)CCOC1=CC=C(C=C1)CC2=CC=CC=C2
IUPAC Name2-(4-benzylphenoxy)-N,N-diethylethanamine
InChIKeyNFIXBCVWIPOYCD-UHFFFAOYSA-N
INCHI1S/C19H25NO/c1-3-20(4-2)14-15-21-19-12-10-18(11-13-19)16-17-8-6-5-7-9-17/h5-13H,3-4,14-16H2,1-2H3
Isomeric SMILES CCN(CC)CCOC1=CC=C(C=C1)CC2=CC=CC=C2
Molecular Weight 399.49
Reaxy-Rn 3326305
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3326305&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
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassDiphenylmethanes
Intermediate Tree Nodes Not available
Direct ParentDiphenylmethanes
Alternative Parents Phenoxy compounds  Phenol ethers  Alkyl aryl ethers  Trialkylamines  Organopnictogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Diphenylmethane - Phenoxy compound - Phenol ether - Alkyl aryl ether - Tertiary aliphatic amine - Tertiary amine - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
LTA4H Tchem Leukotriene A-4 hydrolase (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
LTA4H Tchem Leukotriene A4 hydrolase (1442 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALOX15B Tchem Arachidonate 15-lipoxygenase, type II (7244 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EBP Tchem Anti-estrogen binding site (AEBS) (124 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HTT Tchem Huntingtin (19182 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
lef Anthrax lethal factor (7585 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ESR1 Estrogen receptor (4 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
SolubilitySoluble to 100 mM in DMSO
Molecular Weight283.400 g/mol
XLogP34.600
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Exact Mass283.194 Da
Monoisotopic Mass283.194 Da
Topological Polar Surface Area12.500 Ų
Heavy Atom Count21
Formal Charge0
Complexity250.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
References
1. Yi-Fan Tan, Guang-Min Liang, Kun Zhou, Jiu-Yu Ji, Li-Ping Zhao.  (2023)  Synthesis, crystal structure, characterization, effective photocurrent response and photodegradation of a silver(I) diphosphine 3D supramolecular structure.  JOURNAL OF ORGANOMETALLIC CHEMISTRY,      [PMID:] [10.1016/j.jorganchem.2023.122879]
2. Zhichao Yu, Hexiang Gong, Meijin Li, Dianping Tang.  (2022)  Hollow prussian blue nanozyme-richened liposome for artificial neural network-assisted multimodal colorimetric-photothermal immunoassay on smartphone.  BIOSENSORS & BIOELECTRONICS,      [PMID:36215735] [10.1016/j.bios.2022.114751]
3. Liu Fulei, Han Lingfei, Huang Xiaoxian, Sang Mangmang, Liu Bowen, Li Cong, Ma Congyu, Liu Wenyuan, Feng Feng, Qu Wei.  (2018)  Reticuloendothelial System Pre-Block Strategy to Improve Tumor Targeting Efficacy for Hyaluronic Acid Related Drug Delivery System.  Journal of Biomedical Nanotechnology,  14  (10): (1731-1743).  [PMID:30041720] [10.1166/jbn.2018.2603]
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