Diphenylcyclopropenone(DPC) - Moligand™,≥98% , CAS No.886-38-4

CAS: 886-38-4 Cat. No.: A115107 Molecular Weight: 206.24 Beilstein Registry Number: 608049 EC Number: 212-948-4

GRADE & PURITY Moligand™, ≥98%

Synonyms

DPC | Cyclopropenone, 2,3-diphenyl- | NCGC00166113-01 | SR-01000644630-1 | AMY1261 | DIPHENCYPRONE [MI] | DIPHENYLCYCLOPENONE | NC00029 | NSC57541 | NSC-57541 | Cyclopropenone,3-diphenyl- | Diphenylcyclopropenone | W-200519 | AD-310/30361065 | HY-W014605

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Diphenylcyclopropenone is a potent hapten. Its vibration frequency has been evaluated.
Diphenylcyclopropenone was used in topical immunotherapy.

Specifications

Synonyms

DPC | Cyclopropenone, 2, 3-diphenyl- | NCGC00166113-01 | SR-01000644630-1 | AMY1261 | DIPHENCYPRONE [MI] | DIPHENYLCYCLOPENONE | NC00029 | NSC57541 | NSC-57541 | Cyclopropenone, 3-diphenyl- | Diphenylcyclopropenone | W-200519 | AD-310/30361065 | HY-W014605

Specifications & Purity

Moligand™, ≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Grade

Moligand™

Action Type

ACTIVATOR

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488183655
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183655
• Canonical Smiles: C1=CC=C(C=C1)C2=C(C2=O)C3=CC=CC=C3
• IUPAC Name: 2,3-diphenylcycloprop-2-en-1-one
• InChIKey: HCIBTBXNLVOFER-UHFFFAOYSA-N
• INCHI: 1S/C15H10O/c16-15-13(11-7-3-1-4-8-11)14(15)12-9-5-2-6-10-12/h1-10H
• Isomeric SMILES: C1=CC=C(C=C1)C2=C(C2=O)C3=CC=CC=C3
• WGK Germany: 3
• Molecular Weight: 206.24
• Beilstein: 608049
• Reaxy-Rn: 608049
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=608049&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Cyclic ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Cyclic ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• External Descriptors: cyclopropenone

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)

VDR Tclin Vitamin D receptor (26531 Activities)

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HTT Tchem Huntingtin (19182 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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LMNA Tbio Prelamin-A/C (36751 Activities)

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GMNN Tbio Geminin (128009 Activities)

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PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

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microRNA 21 (64692 Activities)

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Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Acinetobacter baumannii (41033 Activities)

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Escherichia coli (133304 Activities)

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Plasmodium falciparum (966862 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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Rattus norvegicus (775804 Activities)

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Luciferin 4-monooxygenase (66902 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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TGR Thioredoxin glutathione reductase (28579 Activities)

Discover Target: TGR

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Mapt Microtubule-associated protein tau (6 Activities)

Discover Target: Mapt

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

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Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 117-121°C
• Molecular Weight: 206.240 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 206.073 Da
• Monoisotopic Mass: 206.073 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 284.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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: 1

References

1. Zhi-Jun Zhang, Han-Yu Shao, Chuan Liu, Hao-Lin Song, Xiao-Bo Wu, De-Li Cao, Meixuan Zhu, Yuan-Yuan Fu, Juan Wang, Yong-Jing Gao.  (2023)  Descending dopaminergic pathway facilitates itch signal processing via activating spinal GRPR+ neurons.  EMBO REPORTS,      [PMID:37522391] [10.15252/embr.202256098]

2. Jing Peng-Bo, Cao De-Li, Li Si-Si, Zhu Meixuan, Bai Xue-Qiang, Wu Xiao-Bo, Gao Yong-Jing.  (2017)  Chemokine Receptor CXCR3 in the Spinal Cord Contributes to Chronic Itch in Mice.  Neuroscience Bulletin,  34  (1): (54-63).  [PMID:28401489] [10.1007/s12264-017-0128-z]

3. Ni An, Guzailinuer Yasen, Ximu Li, Xianbao Shi, Yongjun Wang, Hongzhuo Liu.  (2025)  Nanoparticle Adjuvants Incorporating Haptens Drive Potent Immune Tolerance to Accelerate Hair Regrowth.  ACS Applied Materials & Interfaces,      [PMID:39818727] [10.1021/acsami.4c17068]

4. Xuxing Pei, Bing Li, Xiaodong Xu, Hui Zhang.  (2024)  Spinal Caspase-6 Contributes to Intrathecal Morphine-induced Acute Itch and Contact Dermatitis-induced Chronic Itch Through Regulating the Phosphorylation of Protein Kinase Mζ in Mice.  NEUROSCIENCE,      [PMID:38176610] [10.1016/j.neuroscience.2023.12.015]