(+)-MK 801 Maleate - ≥98% , CAS No.77086-22-7

CAS: 77086-22-7 Cat. No.: M137364 Molecular Weight: 337.37 EC Number: 278-614-5

GRADE & PURITY ≥98%

Synonyms

DIZOCILPINE MALEATE [MART.] | DTXSID2045785 | SR-01000075457-1 | (+)-MK 801 (Maleate) | SCHEMBL122777 | BP-20236 | HB0004 | s2876 | Dizocilpine maleate (USAN) | Isatin-based compound, 31 | NSC 89140 | SR-01000075457-4 | alpha-Cyano-3-phenoxybenzyl 2,2-dim

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

DIZOCILPINE MALEATE [MART.] | DTXSID2045785 | SR-01000075457-1 | (+)-MK 801 (Maleate) | SCHEMBL122777 | BP-20236 | HB0004 | s2876 | Dizocilpine maleate (USAN) | Isatin-based compound, 31 | NSC 89140 | SR-01000075457-4 | alpha-Cyano-3-phenoxybenzyl 2, 2-dim

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

A potent, selective and non-competitive NMDA receptor antagonist. Acts by binding to a site located within the NMDA associated ion channel and thus prevents Ca2+flux. An effective anti-ischemic agent in several animal models.(-)-enantiomeralso available.H

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488195749
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195749
• Canonical Smiles: CC12C3=CC=CC=C3CC(N1)C4=CC=CC=C24.C(=CC(=O)O)C(=O)O
• IUPAC Name: (Z)-but-2-enedioic acid;(1S,9R)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene
• InChIKey: QLTXKCWMEZIHBJ-PJGJYSAQSA-N
• INCHI: 1S/C16H15N.C4H4O4/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16;5-3(6)1-2-4(7)8/h2-9,15,17H,10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t15-,16+;/m1./s1
• Isomeric SMILES: C[C@@]12C3=CC=CC=C3C[C@@H](N1)C4=CC=CC=C24.C(=C\C(=O)O)\C(=O)O
• Molecular Weight: 337.37
• Reaxy-Rn: 34955296
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=34955296&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Dibenzocycloheptenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Dibenzocycloheptenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Dibenzocycloheptenes
• Alternative Parents: Tetrahydroisoquinolines Isoindolines Aralkylamines Unsaturated fatty acids Dicarboxylic acids and derivatives Dialkylamines Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Dibenzocycloheptene - Tetrahydroisoquinoline - Isoindoline - Isoindole or derivatives - Aralkylamine - Dicarboxylic acid or derivatives - Unsaturated fatty acid - Fatty acid - Fatty acyl - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as dibenzocycloheptenes. These are compounds containing a dibenzocycloheptene moiety, which consists of two benzene rings connected by a cycloheptene ring.
• 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)

GRIN2B Tclin Glutamate [NMDA] receptor subunit epsilon 2 (467 Activities)

Discover Target: GRIN2B

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

SH-SY5Y (11521 Activities)

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POLK Tbio DNA polymerase kappa (8653 Activities)

Discover Target: POLK

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

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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

ERG Tbio Transcriptional regulator ERG (5589 Activities)

Discover Target: ERG

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

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

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

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

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Mus musculus (284745 Activities)

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PC-12 (7051 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Grin1 Glutamate NMDA receptor (6467 Activities)

Discover Target: Grin1

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

Cacna1c Voltage-gated L-type calcium channel (1164 Activities)

Discover Target: Cacna1c

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:water, Max Conc. mg/mL: 8.43, Max Conc. mM: 25; Solvent:DMSO, Max Conc. mg/mL: 33.74, Max Conc. mM: 100
• Sensitivity: air sensitive
• Molecular Weight: 337.400 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 337.131 Da
• Monoisotopic Mass: 337.131 Da
• Topological Polar Surface Area: 86.600 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 432.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 2

XLogP3

References

1. Yue-Heng Yan, Hong-Kun Wang, Zi-Hao Wang, Rui-Ze Wang, Ruo-Xuan Li, Li-Li Huang, Yan-Yan Wang.  (2025)  Effects of anxiety induced by conditioned fear on the expression of NMDA receptors and synaptic plasticity in the rat BLA.  BEHAVIOURAL BRAIN RESEARCH,      [PMID:40132761] [10.1016/j.bbr.2025.115547]

2. Zhengyuan Huang, Guanghui Chen, Zhongyu Ren, Ling Xiao, Ziyue Chen, Yinping Xie, Gaohua Wang, Benhong Zhou.  (2025)  Urolithin A ameliorates schizophrenia-like behaviors and cognitive impairments in female rats by modulating NLRP3 signaling.  INTERNATIONAL IMMUNOPHARMACOLOGY,      [PMID:39987632] [10.1016/j.intimp.2025.114336]

3. Jing Zhang, Yan Zhao.  (2025)  Deficiency of Aldehyde Dehydrogenase 2 Sensitizes cells to Glutamate-Induced Cytotoxicity via Elevation of GluN1 Expression.  TOXICOLOGY,      [PMID:40592419] [10.1016/j.tox.2025.154226]

4. Fan Rui, Pu Jianlin, Zhang Jin, Yu Minglan, Wang Tingting, Geng Xiaoqi, Dong Wei, Ma Rong, Wang Binglong, Wu Jianfei, Liu Kezhi, Hashimoto Kenji, Xiang Bo.  (2025)  Gα13 Overexpression in the Medial Prefrontal Cortex Disrupts Social Behavior Through the Adcyap1/cAMP/PKA/NMDAR Pathway.  SCHIZOPHRENIA BULLETIN,      [PMID:40843621] [10.1093/schbul/sbaf131]

5. Xin Bao, Jingyan Sun, Xing Gao, Mingsheng Xu, Chen Dong, Honghua Pan.  (2026)  A spatiotemporally controlled MNE@PDA-Diz/GP hydrogel system: enhancing spinal cord injury repair via ROS scavenging, calcium influx inhibition, and macrophage polarization.  RSC Advances,  16  (14): (12458-12474).  [PMID:41822204] [10.1039/D5RA08918B]