Basic information
- CAS
1257051-63-0- Standard SMILES
COCCOc1nc(-c2ccc(Cl)nc2)nc2c1CN(C(=O)c1ncn3ccccc13)CC2- InChIKey
JBHLOPKIPKTRSU-UHFFFAOYSA-N- Molecular formula
- C23H21ClN6O3
- Average molar mass
- 464.9 g/mol
- Monoisotopic mass
- 464.1363662
Names & identifiers
- Preferred name
- [2-(6-chloropyridin-3-yl)-4-(2-methoxyethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-imidazo[1,5-a]pyridin-1-ylmethanone
- IUPAC
- [2-(6-chloro-3-pyridinyl)-4-(2-methoxyethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-imidazo[1,5-a]pyridin-1-ylmethanone
- English name
- THPP-1
- Molecular formula
- C23H21ClN6O3
- Molecular weight
- 464.9
Names & synonyms
THPP-11257051-63-0[2-(6-chloropyridin-3-yl)-4-(2-methoxyethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-imidazo[1,5-a]pyridin-1-ylmethanone(2-(6-Chloropyridin-3-yl)-4-(2-methoxyethoxy)-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl)(imidazo[1,5-a]pyridin-1-yl)methanoneCHEMBL2204538MFCD32671358C23H21ClN6O3SCHEMBL415756orb1298874EX-A4562HAC05163BDBM50401294
Show more names
THPP-1, 10 mM in DMSOPDE10A,SIMA,object,THPP 1,recognition,Phosphodiesterase (PDE),Inhibitor,inhibit,novel,THPP-1,THPP12-chloro-5-(6-{imidazo[1,5-a]pyridine-1-carbonyl}-4-(2-methoxyethoxy)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl)pyridineMethanone, [2-(6-chloro-3-pyridinyl)-7,8-dihydro-4-(2-methoxyethoxy)pyrido[4,3-d]pyrimidin-6(5H)-yl]imidazo[1,5-a]pyridin-1-yl-
AKOS040759431EBC-420047DA-78439MS-28568SY391126HY-117604CS-0066613T8506
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 94.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 674
Physicochemical properties
- Density
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 31.25 mg/mL · DMSO: 31.25 mg/mL (67.22 mM)
- form
- A solid
- pka
- 4.7 · 4.70±0.30(Predicted)
- color
- Off-white to light yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
- Precautionary statements
- 501 · P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319
- Precautionary statements
- P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
Chemistry & industry
Applications
UsesTHPP-1, a SGC chemical probe, is a potent and orally bioavailable phosphodiesterase 10A (PDE10A) inhibitor, with Ki values of 1 nM and 1.3 nM for human and rat PDE10A, respectively. THPP-1 has excellent pharmacokinetic properties in preclinical species[1].
Suppliers20 total
上海冬洋生物科技有限公司0512-13601744364 13601744364 · [email protected]
InvivoChem中国13549236410 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
湖北魏氏化学试剂股份有限公司17771898297 13125137661 · [email protected]
台州川旭医药科技有限公司[email protected] 15165038510 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海楼岚生物科技有限公司021-52996696，15000506266 15000506266
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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