Basic information
- CAS
78351-75-4- Standard SMILES
Clc1cccc(Nc2nnc(-c3ccccc3)c3ccccc23)c1- InChIKey
CEHQLKSLMFIHBF-UHFFFAOYSA-N- Molecular formula
- C20H14ClN3
- Average molar mass
- 331.8 g/mol
- Monoisotopic mass
- 331.0876252
Overview
N-(3-chlorophenyl)-4-phenyl-1-phthalazinamine is a ring assembly and a member of pyridazines.
Names & identifiers
- Preferred name
- MY 5445
- IUPAC
- N-(3-chlorophenyl)-4-phenylphthalazin-1-amine
- English name
- MY-5445
- Molecular formula
- C20H14ClN3
- Molecular weight
- 331.8
Names & synonyms
78351-75-4MY-54451-Phthalazinamine, N-(3-chlorophenyl)-4-phenyl-1-(3-chlorophenylamino)-4-phenylphthalazineMY 5445F8CSS73B6ADTXSID70229009(3-chlorophenyl)-(4-phenylphthalazin-1-yl)amineRefChem:819680DTXCID40151500636-069-4n-(3-chlorophenyl)-4-phenylphthalazin-1-amine
Show more names
MY5445MY-5445, 10 mM in DMSO1-(3-Chloroanilino)-4-phenylphthalazine >1-(3-CHLOROPHENYLAMINO)-4-PHENYLPHTHALAZINEN-(3-Chlorophenyl)-4-phenyl-1-phthalazinamineaggregation,platelet,Inhibitor,anticancer,inhibit,MY5445,neuropathic,MY 5445,Phosphodiesterase (PDE),neuropathic pain,allodynia,MY-5445
1-(3-Chloroanilino)-4-phenylphthalazineMFCD00209838CHEMBL332898UNII-F8CSS73B6ATocris-0432SpecPlus_000807Spectrum2_001820Spectrum3_001763
Database identifiers
- CAS
78351-75-4- PubChem CID
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 37.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 398
Physicochemical properties
- Boiling point
- 539.7 · 539.7±50.0 °C(Predicted)
- Density
- 1.31 · 1.310±0.06 g/cm3(Predicted)
- storage temp.
- Store at RT
- solubility
- 2 mg/ml; · DMF: 2 mg/ml; DMSO: 2 mg/ml; DMSO:PBS(pH 7.2) (1:2): 0.3 mg/ml
- pka
- 4.91 · 4.91±0.30(Predicted)
- form
- Yellow solid.
- color
- White to Light yellow
- FDA UNII
- 8 CSS73B6A · F8CSS73B6A
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- HS Code
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2933.99.8290
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
DescriptionMY-5445 is a selective inhibitor of the cyclic GMP (cGMP) phosphodiesterase, PDE5, with a Ki value of 1.3 μM. It inhibits calcium- and cAMP-selective PDEs with Ki values of >1,000 and 915 μM, respectively. MY-5445 has been shown to relax intact strips of rat aorta with an EC50 value of 4 μM.
UsesMY-5445 is a selective cGMP phosphodiesterase inhibitor. Potent PDE5 inhibitor.
Suppliers43 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
芷威（上海）化学科技有限公司021-20221225 13917446399 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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