- Preparation of pyrimidopyrrolo derivatives as CFTR inhibitors and uses therefor, World Intellectual Property Organization, , ,
Cas no 931706-15-9 (PPQ-102)
PPQ-102 structure
Product Name:PPQ-102
CAS No:931706-15-9
MF:C26H22N4O3
MW:438.477885723114
MDL:MFCD14824240
CID:834513
Update Time:2024-10-26
PPQ-102 Chemical and Physical Properties
Names and Identifiers
-
- PPQ-102
- 7,9-Dimethyl-6-(5-methyl-2-furyl)-11-phenyl-6,7-dihydropyrimido[4 ',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(5H,9H)-dione
- PPQ 102
- CFTR Inhibitor
- PPQ102
- AOB6019
- MNOOVRNGPIWJDI-UHFFFAOYSA-N
- HMS1856O19
- BCP09625
- BDBM50324734
- 3977AH
- AK340959
- 12,14-Dimethyl-9-(5-methylfuran-2-yl)-17-phenyl-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptad
- 6,7-Dihydro-7,9-dimethyl-6-(5-methyl-2-furanyl)-11-phenylpyrimido[4′,5′:3,4]pyrrolo[1,2-a]quinoxaline-8,10(5H,9)-dione (ACI)
-
- MDL： MFCD14824240
- Inchi： 1S/C26H22N4O3/c1-15-13-14-19(33-15)21-24-23-20(25(31)29(3)26(32)28(23)2)22(16-9-5-4-6-10-16)30(24)18-12-8-7-11-17(18)27-21/h4-14,21,27H,1-3H3
- InChI Key： MNOOVRNGPIWJDI-UHFFFAOYSA-N
- SMILES： O=C1N(C)C(=O)N(C)C2C1=C(N1C=2C(C2=CC=C(C)O2)NC2C1=CC=CC=2)C1C=CC=CC=1
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 33
- Rotatable Bond Count: 2
- Complexity: 786
- Topological Polar Surface Area: 70.7
Experimental Properties
- Melting Point: >300℃ (ethanol )
PPQ-102 Security Information
- Signal Word：Warning
- Hazard Statement： H302-H317
- Warning Statement： P280-P305+P351+P338
- Storage Condition：Powder -20°C 3 years ? 4°C 2 years In solvent -80°C 6 months ? -20°C 1 month
PPQ-102 Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| S e l l e c k ZHONG GUO | S0198-5mg |
PPQ-102 |
931706-15-9 | 99.86% | 5mg |
￥957.46 | 2023-09-15 | |
| S e l l e c k ZHONG GUO | S0198-25mg |
PPQ-102 |
931706-15-9 | 99.86% | 25mg |
￥3558.47 | 2023-09-15 | |
| ChemScence | CS-2863-5mg |
PPQ-102 |
931706-15-9 | 99.82% | 5mg |
$96.0 | 2022-04-26 | |
| ChemScence | CS-2863-10mg |
PPQ-102 |
931706-15-9 | 99.82% | 10mg |
$168.0 | 2022-04-26 | |
| ChemScence | CS-2863-50mg |
PPQ-102 |
931706-15-9 | 99.82% | 50mg |
$660.0 | 2022-04-26 | |
| ChemScence | CS-2863-100mg |
PPQ-102 |
931706-15-9 | 99.82% | 100mg |
$1020.0 | 2022-04-26 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | P860903-5mg |
PPQ-102 |
931706-15-9 | >98% | 5mg |
￥760.00 | 2022-01-14 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | P860903-10mg |
PPQ-102 |
931706-15-9 | >98% | 10mg |
￥1,320.00 | 2022-01-14 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | P860903-25mg |
PPQ-102 |
931706-15-9 | >98% | 25mg |
￥2,760.00 | 2022-01-14 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | P860903-100mg |
PPQ-102 |
931706-15-9 | >98% | 100mg |
￥7,380.00 | 2022-01-14 |
PPQ-102 Production Method
Production Method 1
Reaction Conditions
1.1 Catalysts: p-Toluenesulfonic acid Solvents: 1,2-Dichloroethane ; 5 min, reflux
Reference
Production Method 2
Reaction Conditions
1.1 Solvents: Ethanol ; 10 min, 170 °C
Reference
- Nanomolar Potency Pyrimido-pyrrolo-quinoxalinedione CFTR Inhibitor Reduces Cyst Size in a Polycystic Kidney Disease ModelTradtrantip, Lukmanee; Sonawane, N. D.; Namkung, Wan; Verkman, A. S., Journal of Medicinal Chemistry, 2009, 52(20), 6447-6455
Production Method 3
Reaction Conditions
1.1 Catalysts: p-Toluenesulfonic acid Solvents: 1,2-Dichloroethane ; 5 min, reflux
Reference
- Potent, Metabolically Stable Benzopyrimido-pyrrolo-oxazine-dione (BPO) CFTR Inhibitors for Polycystic Kidney DiseaseSnyder, David S.; Tradtrantip, Lukmanee; Yao, Chenjuan; Kurth, Mark J.; Verkman, A. S., Journal of Medicinal Chemistry, 2011, 54(15), 5468-5477
Production Method 4
Reaction Conditions
1.1 Solvents: Ethanol ; 10 min, 170 °C
Reference
- Pyrimido-pyrrolo-quinoxalinedione inhibitors of cystic fibrosis transmembrane conductance regulator protein and uses therefor, World Intellectual Property Organization, , ,
Production Method 5
Reaction Conditions
Reference
- Pyrimido-pyrrolo-oxazine-dione compound inhibitors of the cystic fibrosis transmembrane conductance regulator protein and uses therefor, United States, , ,
Production Method 6
Reaction Conditions
Reference
- Pyrimido-pyrrolo-quinoxalinedione inhibitors of cystic fibrosis transmembrane conductance regulator protein and uses therefor, United States, , ,
PPQ-102 Raw materials
- 5-Methylfurfural
- 6-(2-aMinophenyl)-1,3-diMethyl-5-phenyl-1H-pyrrolo[3,4-d]pyriMidine-2,4(3H,6H)-dione
PPQ-102 Preparation Products
PPQ-102 Suppliers
Amadis Chemical Company Limited
Gold Member
Audited Supplier
(CAS:931706-15-9)PPQ-102
Order Number:A857441
Stock Status:in Stock
Quantity:100mg/250mg/1g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 08:06
Price ($):239.0/406.0/1096.0
Email:[email protected]
PPQ-102 Related Literature
-
J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Recommended suppliers
Amadis Chemical Company Limited
(CAS:931706-15-9)PPQ-102
Purity:99%/99%/99%
Quantity:100mg/250mg/1g
Price ($):239.0/406.0/1096.0