Basic information
- CAS
716-11-0- Standard SMILES
Cc1nc(N=C(N)N)nc2ccccc12- InChIKey
ONQKSKDLYYDFLL-UHFFFAOYSA-N- Molecular formula
- C10H11N5
- Average molar mass
- 201.23 g/mol
- Monoisotopic mass
- 201.10144537
Names & identifiers
- Preferred name
- 1-(4-Methylquinazolin-2-yl)guanidine
- IUPAC
- 2-(4-methylquinazolin-2-yl)guanidine
- English name
- N-(4-Methylquinazolin-2-yl)guanidine
- Molecular formula
- C10H11N5
- Molecular weight
- 201.23
Names & synonyms
1-(4-methylquinazolin-2-yl)guanidineRefChem:425940800-208-9N-(4-methylquinazolin-2-yl)guanidine716-11-02-(4-methylquinazolin-2-yl)guanidineGNF-Pf-3515MFCD00023908CHEMBL602365NSC-403387guanidine, N-(4-methyl-2-quinazolinyl)-amino(4-methylquinazolin-2-yl)carboxamidine
Show more names
2-guanidino-4-methylquinazoline2-(4-methyl-2-quinazolinyl)guanidine
2-GMQ2-guanidine-4-methylquinazolineNSC403387Cambridge id 5228468TimTec1_000349MLS000710636GTPL4203orb3174514
Database identifiers
- CAS
716-11-0- PubChem CID
- 345657
- DTXSID
DTXSID20323223- ChEMBL
CHEMBL602365- EC Number
- 800-208-9
- Nikkaji
- J806.198J
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 90.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 248
Experimental & physicochemical properties
LogP-0.02
Solubility>30.2 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- solubility
- 16.6 mg/mL · DMSO: 16.6mg/mL
- form
- solid
- color
- Off-white
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 271 · P271-P261-P280
- target organs
- Respiratory system
- WGK Germany
- 3 · WGK 3
- HS Code
- 2933992000 · 2933992000
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- WGK 3
- hs_code
- 2933992000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P271-P261-P280
Chemistry & industry
Applications
UsesA positively charged guanidium-containing quinazoline that modulates ASIC function by blocking acid-induced maximal peak current as well as by altering ASICs pH dependence for activation and inactivation, enabling a partial, but sustained ASIC3 activation around neutral pH, which is inhibitable by Amiloride. Intraplantar paw injection (10 µL 100 µM) is reported to elicit a pain response in asic3+/+, but not asic3-/-, mice in vivo. GMQ targeting area appears to overlap with Amiloride binding site in the pore region, but is distinct from ASIC calcium binding site.
Upstream & downstream products
Upstream raw materials
Suppliers6 total
北京科迈启医药科技有限公司15910349257 15910349257 · [email protected]
China Kouting Group Limited+86 (21) 5811-6473 5811-6475 · [email protected]
上海孚一生物科技有限公司+86 (21) 61124340
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
陕西爱施达尔生物科技有限公司18682931470; 18682931470 · [email protected]
南京克罗托鲁宁医药科技有限公司13382066392
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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