Pentylenetetrazole - ≥98% , CAS No.54-95-5

CAS: 54-95-5 Cat. No.: P103065 Molecular Weight: 138.17 EC Number: 200-219-3
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
Deumacard | Nauranzol | NSC66489 | Pentamethylenetetrazal | Kardiazol | Corasol | TT87 | Delzol-W | Naurazol | Corvasol | Penetratsol | Stellacardiol | Stillcardiol | 6,7,8,9-Tetrahydro-5H-tetrazolo(1,5-a)azepine | Cerebro-nicin | Corvis | 6,7,8,9-Tetrahy
Storage
Store at -20°C,Argon charged
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1g
P103065-1g
2
$29.90
5g
P103065-5g
1
$99.90
25g
P103065-25g
1
$349.90
100g
P103065-100g
1
$699.90
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C,Argon charged 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 18 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

A useful biochemical in neurotransmitter studies.

Specifications

Synonyms
Deumacard | Nauranzol | NSC66489 | Pentamethylenetetrazal | Kardiazol | Corasol | TT87 | Delzol-W | Naurazol | Corvasol | Penetratsol | Stellacardiol | Stillcardiol | 6, 7, 8, 9-Tetrahydro-5H-tetrazolo(1, 5-a)azepine | Cerebro-nicin | Corvis | 6, 7, 8, 9-Tetrahy
Specifications & Purity
≥98%
Biochemical and Physiological Mechanisms
CNS stimulant that induces kindlingin vivo. Causes alterations in excitatory and inhibitory neurotransmitter systems.
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 Sid504750958
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504750958
Canonical SmilesC1CCC2=NN=NN2CC1
IUPAC Name6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine
InChIKeyCWRVKFFCRWGWCS-UHFFFAOYSA-N
INCHI1S/C6H10N4/c1-2-4-6-7-8-9-10(6)5-3-1/h1-5H2
Isomeric SMILES C1CCC2=NN=NN2CC1
WGK Germany 3
RTECS XF8225000
UN Number 2811
Packing Group I
Molecular Weight 138.17
Reaxy-Rn 135492
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=135492&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
SuperclassOrganoheterocyclic compounds
ClassAzepines
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentAzepines
Alternative Parents Tetrazoles  Heteroaromatic compounds  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Azepine - Heteroaromatic compound - Tetrazole - Azole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as azepines. These are organic compounds containing an unsaturated seven-member heterocycle with one nitrogen atom replacing a carbon atom.
External Descriptors organic heterobicyclic compound - organonitrogen heterocyclic compound
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 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
POLK Tbio DNA polymerase kappa (8653 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ABCB11 Tchem Bile salt export pump (2311 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SNCA Tchem Alpha-synuclein (10960 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BLM Tchem Bloom syndrome protein (4248 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RGS4 Tchem Regulator of G-protein signaling 4 (13867 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 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
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GCN5 Histone acetyltransferase GCN5 (89 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
pfk 6-phospho-1-fructokinase (7870 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mapt Microtubule-associated protein tau (6 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:

Find and download the COA for your product by matching the lot number on the packaging.

26 results found

Lot NumberCertificate TypeDateItem
B2625175Certificate of AnalysisFeb 22, 2025 P103065
B2626167Certificate of AnalysisFeb 22, 2025 P103065
I2519031Certificate of AnalysisFeb 22, 2025 P103065
E2528718Certificate of AnalysisFeb 22, 2025 P103065
E2528717Certificate of AnalysisFeb 22, 2025 P103065
E2528716Certificate of AnalysisFeb 22, 2025 P103065
E2528715Certificate of AnalysisFeb 22, 2025 P103065
L2407038Certificate of AnalysisNov 22, 2024 P103065
L2403401Certificate of AnalysisNov 22, 2024 P103065
L2403400Certificate of AnalysisNov 22, 2024 P103065
E2421405Certificate of AnalysisMay 08, 2024 P103065
E2421339Certificate of AnalysisMay 08, 2024 P103065
E2421338Certificate of AnalysisMay 08, 2024 P103065
E2421337Certificate of AnalysisMay 08, 2024 P103065
E2421336Certificate of AnalysisMay 08, 2024 P103065
I2312589Certificate of AnalysisAug 28, 2023 P103065
I2312591Certificate of AnalysisAug 28, 2023 P103065
I2312593Certificate of AnalysisAug 28, 2023 P103065
I2312595Certificate of AnalysisAug 28, 2023 P103065
D2411071Certificate of AnalysisAug 28, 2023 P103065
B2418185Certificate of AnalysisAug 28, 2023 P103065
F2218116Certificate of AnalysisMay 23, 2022 P103065
F2218247Certificate of AnalysisMay 23, 2022 P103065
F2218248Certificate of AnalysisMay 23, 2022 P103065
F2218455Certificate of AnalysisMay 23, 2022 P103065
G2305131Certificate of AnalysisMay 23, 2022 P103065

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Chemical and Physical Properties
SolubilitySolvent:water, Max Conc. mg/mL: 13.81, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 13.81, Max Conc. mM: 100
SensitivityHygroscopic
Boil Point(°C)194°C
Melt Point(°C)60°C
Molecular Weight138.170 g/mol
XLogP30.100
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass138.091 Da
Monoisotopic Mass138.091 Da
Topological Polar Surface Area43.600 Ų
Heavy Atom Count10
Formal Charge0
Complexity116.000
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
Documents & Articles
Citations of This Product
References
1. Zhang Shuai-nan, Li Hong-mei, Liu Qi, Li Xu-zhao, Yang Wu-de, Zhou Ying.  (2023)  Eucommiae Folium and Active Compounds Protect Against Mitochondrial Dysfunction-Calcium Overload in Epileptic Hippocampal Neurons Through the Hypertrophic Cardiomyopathy Pathway.  NEUROCHEMICAL RESEARCH,      [PMID:37067737] [10.1007/s11064-023-03937-5]
2. Qinglei Wang, Rong Wang, Cheng Zheng, Linlin Zhang, Hong Meng, Yi Zhang, Linke Ma, Bilian Chen, Juanjuan Wang.  (2022)  Anticonvulsant Activity of Bombyx batryticatus and Analysis of Bioactive Extracts Based on UHPLC-Q-TOF MS/MS and Molecular Networking.  MOLECULES,  27  (23): (8315).  [PMID:36500408] [10.3390/molecules27238315]
3. Yang Li-Xiang, Yao Yuan-Yuan, Yang Jiu-Rong, Cheng Hui-Lin, Zhu Xin-Jian, Zhang Zhi-Jun.  (2022)  Sphingosine 1-phosphate receptor 1 regulates blood-brain barrier permeability in epileptic mice.  Neural Regeneration Research,  18  (8): (1763).  [PMID:36751803] [10.4103/1673-5374.360263]
4. Ming-Xia Song, Yuping Huang, Shiben Wang, Zeng-Tao Wang, Xian-Qing Deng.  (2019)  Design, synthesis, and evaluation of anticonvulsant activities of benzoxazole derivatives containing the 1,2,4-triazolone moiety.  ARCHIV DER PHARMAZIE,  352  (8): (1800313).  [PMID:31330092] [10.1002/ardp.201800313]
5. Hao Liu, Zhi Song, Da-Guang Liao, Tian-Yi Zhang, Feng Liu, Kai Zhuang, Kui Luo, Liang Yang, Jing He, Jian-Ping Lei.  (2015)  Anticonvulsant and Sedative Effects of Eudesmin isolated from Acorus tatarinowii on mice and rats.  PHYTOTHERAPY RESEARCH,  29  (7): (996-1003).  [PMID:25851178] [10.1002/ptr.5337]
6. Jun Xiang, Yugang Jiang.  (2013)  Antiepileptic Potential of Matrine via Regulation the Levels of Gamma-Aminobutyric Acid and Glutamic Acid in the Brain.  INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES,  14  (12): (23751-23761).  [PMID:24317434] [10.3390/ijms141223751]
7. Tao Yang, Bin Kong, Jian-Wen Gu, Yong-Qin Kuang, Lin Cheng, Wen-Tao Yang, Jing-Min Cheng, Yuan Ma, Xiao-Kun Yang.  (2013)  Anticonvulsant and sedative effects of paederosidic acid isolated from Paederia scandens (Lour.) Merrill. in mice and rats.  PHARMACOLOGY BIOCHEMISTRY AND BEHAVIOR,      [PMID:24029464] [10.1016/j.pbb.2013.08.015]
8. Liang Chen, Jiaxin Li, Chengwei Fang, Jiepeng Wang.  (2025)  Metabolomics-Based Study on the Anticonvulsant Mechanism of Acorus tatarinowii: GABA Transaminase Inhibition Alleviates PTZ-Induced Epilepsy in Rats.  Metabolites,  15  (3): (175).  [PMID:40137140] [10.3390/metabo15030175]
9. Wenlong Li, Xing Li, Ming Yang, Wenliang Liu, Renyuan Sun, Yuyi Peng, Jinkun Wang, Zhengwei Hu, Ke Fang, Bing Liu, Xiaojian Li, Zhiqiang Luo.  (2025)  Robust Neural Interfaces Enabled by Non-Deformable Adhesive Hydrogel Patch for Stable Chronic ECoG Recording.  ADVANCED FUNCTIONAL MATERIALS,      [PMID:] [10.1002/adfm.202422717]
10. Jia-Qi Ma, Lu Wang, Yue Zhang, Yong-Qian Bian, Xiao-Peng Qu, Li-Jia Song, Chao Wang, Li Gao, Qi-Xing Fang, De-Chang Zhao, Liang-Liang Shen, Bei Liu.  (2024)  Single-nucleus RNA sequencing-based construction of a hippocampal neuron atlas in mice with epileptic cognitive impairment.  iScience,      [PMID:39635132] [10.1016/j.isci.2024.111065]
11. Lin Guo, Yanke Chen, Rui Zhao, Guanghui Wang, Eitan Friedman, Ao Zhang, Xuechu Zhen.  (2015)  Allosteric modulation of sigma-1 receptors elicits anti-seizure activities.  BRITISH JOURNAL OF PHARMACOLOGY,  172  (16): (4052-4065).  [PMID:25989224] [10.1111/bph.13195]
12. Qingquan Guo, Yudong Zhang, Jianhua Zhang, Xiaoyu Tian, Yawen Zhou, Yaxin Wang, Mingjie He, Lu Chen, Jiaqi Zeng, Chuanjin Tang, Qiuru Li, Zhenming He, Bingji Ma, Chenyang Jiang, Haishan Zhao.  (2025)  Melanin Concentrating Hormone-sleep pressure loop regulates melanin degradation through both autophagic degradation and lysosomal hydrolysis in zebrafish.  JOURNAL OF BIOLOGICAL CHEMISTRY,      [PMID:40209955] [10.1016/j.jbc.2025.108486]
13. Liang Chen, Jiaxin Li, Wenhui Zhang, Jiepeng Wang.  (2025)  Antiepileptic Effects of Acorus tatarinowii Schott in a Rat Model of Epilepsy: Regulation of Metabolic Axes and Gut Microbiota.  Biology-Basel,  14  (5): (488).  [PMID:40427677] [10.3390/biology14050488]
14. Tan Xue, Qi Wang, Panpan Zhang, Yan Miao, Jianing Sun, Fengyu Dong, Xinjing Gui, Jing Yao, Ruixin Liu.  (2025)  Consistency between stir-frying Bombyx Batryticatus formula granules and traditional decoctions based on multi-component qualitative and quantitative analysis combined with GC-IMS and chemometrics.  JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS,      [PMID:40381251] [10.1016/j.jpba.2025.116971]
15. Yongcheng Jiang, Lina Guo, Houde He, Haonan Chen, Tao Chen, Yan Liu, Wang Zhao.  (2025)  Lactobacillus reuteri E9 Regulates Sleep Disorders Through Its Metabolite GABA.  Frontiers in Bioscience-Landmark,  30  (6): (39587).  [PMID:40613302] [10.31083/FBL39587]
16. Mi Wang, Tianqi Liu, Hao Wang, Zhenyuan Wang, Jiaheng Zhang.  (2025)  A Supramolecular System of Bioactive Ionic Liquid, Peony Extract, and Peptide for Enhanced Permeability and Synergistic Skincare Benefits.  CHEMISTRY-A EUROPEAN JOURNAL,      [PMID:40522284] [10.1002/chem.202501323]
17. Jiahao Liu, Jiawei Li, Yuanyuan Liu, Ruici Liu, Liya Fang, Zhimei Jiang, Lei Liu, Luchuan Wang, Chao Gong, Deming Kong, Ruting Fu, Pei Zeng, Jin Guo, Shaobo Zhou.  (2025)  Preventive effects of vitamin D on epileptic seizures and its regulation of PTEN and autophagy in acute epilepsy mouse models.  NUTRITIONAL NEUROSCIENCE,      [PMID:41327833] [10.1080/1028415X.2025.2592265]
18. XiaoYang Qu, LiJuan Chen, JiangHua He, YuFei Fang, Jing Sun, ZhiYing Yu, Zhen Yang, ZiJing Zhang, JianBo Chen, Ling Dong.  (2026)  Hyodeoxycholic acid in Arisaema Cum Bile can alleviate pentylenetetrazol-induced epilepsy by activating p53/Nrf2/GPX4 to inhibit ferroptosis.  PHYTOMEDICINE,      [PMID:41764838] [10.1016/j.phymed.2026.157907]
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