DL-threo-PDMP hydrochloride - ≥98% , CAS No.80938-69-8

CAS: 80938-69-8 Cat. No.: D276466 Molecular Weight: 427.03

GRADE & PURITY ≥98%

Synonyms

N-[(1R,2R)-1-hydroxy-3-morpholin-4-yl-1-phenylpropan-2-yl]decanamide;hydrochloride | AKOS040755898 | SMR000326846 | EX-A8002H | MLS000859987 | D-Threo-pdmp-HCl | DTXSID401017468 | Decanamide,N-[(1R,2R)-2-hydroxy-1-(4-morpholinylmethyl)-2-phenylethyl]-,hyd

Storage

Store at -20°C,Argon charged,Desiccated

Shipped In

Ice chest + Ice pads

Overview

DL-threo-PDMP hydrochloride is a PDMP which closely resembles the natural sphingolipid substrate of brain glucosyltransferase and acts as a potent and competitive inhibitor of this enzyme. Blocks the outgrowth of neurites and inhibits glycolipid synthesis in cultured NIH/3T3 cells. DL-threo-PDMP, Hydrochloride is an inhibitor of UGCG (Glucosylceramide synthase).

Specifications

Synonyms

N-[(1R, 2R)-1-hydroxy-3-morpholin-4-yl-1-phenylpropan-2-yl]decanamide;hydrochloride | AKOS040755898 | SMR000326846 | EX-A8002H | MLS000859987 | D-Threo-pdmp-HCl | DTXSID401017468 | Decanamide, N-[(1R, 2R)-2-hydroxy-1-(4-morpholinylmethyl)-2-phenylethyl]-, hyd

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Glucosylceramide synthase inhibitor. Antimalarial activity. Antileukemic activity in combination with tetrandrine (Asc 2464) . Active in vitro .s

Storage

Store at -20°C, Argon charged, Desiccated

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CCCCCCCCCC(=O)NC(CN1CCOCC1)C(C2=CC=CC=C2)O.Cl
• IUPAC Name: N-[(1R,2R)-1-hydroxy-3-morpholin-4-yl-1-phenylpropan-2-yl]decanamide;hydrochloride
• InChIKey: HVJHJOYQTSEKPK-BLDCTAJRSA-N
• INCHI: 1S/C23H38N2O3.ClH/c1-2-3-4-5-6-7-11-14-22(26)24-21(19-25-15-17-28-18-16-25)23(27)20-12-9-8-10-13-20;/h8-10,12-13,21,23,27H,2-7,11,14-19H2,1H3,(H,24,26);1H/t21-,23-;/m1./s1
• Isomeric SMILES: CCCCCCCCCC(=O)N[C@H](CN1CCOCC1)[C@@H](C2=CC=CC=C2)O.Cl
• Molecular Weight: 427.03
• Reaxy-Rn: 26124086
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26124086&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aralkylamines
• Alternative Parents: N-acyl amines Morpholines Benzene and substituted derivatives 1,3-aminoalcohols Trialkylamines Secondary carboxylic acid amides Secondary alcohols Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Dialkyl ethers Hydrochlorides Organic oxides Carbonyl compounds Aromatic alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aralkylamine - Monocyclic benzene moiety - Fatty amide - Morpholine - N-acyl-amine - Oxazinane - Fatty acyl - Benzenoid - 1,3-aminoalcohol - Amino acid or derivatives - Carboxamide group - Secondary alcohol - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Azacycle - Oxacycle - Ether - Dialkyl ether - Carboxylic acid derivative - Organoheterocyclic compound - Hydrochloride - Organooxygen compound - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Organic oxide - Carbonyl group - Aromatic alcohol - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

Discover Target: PTH1R

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)

Discover Target: IDH1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in DMSO, in ethanol, in methanol and in chloroform
• Sensitivity: Moisture sensitive
• Molecular Weight: 427.000 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 13
• Exact Mass: 426.265 Da
• Monoisotopic Mass: 426.265 Da
• Topological Polar Surface Area: 61.800 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 407.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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