PD-128,907

PD-128,907
识别信息
	IUPAC命名法 (4aR,10bR)-3,4a,4,10b-tetrahydro-4-propyl-2H,5H-[1]benzopyrano-[4,3-b]-1,4-oxazin-9-ol; ;
CAS号	123594-64-9 ; 300576-59-4（盐酸盐）
PubChem CID	5311346;
ChemSpider	23180492 ;
ChEMBL	ChEMBL94015 ;
CompTox Dashboard（英语：CompTox Chemicals Dashboard） (EPA)	DTXSID301018037 ;
化学信息
化学式	C14H19NO3
摩尔质量	249.31 g·mol−1
3D模型（JSmol（英语：JSmol））	交互式图像;
	SMILES c23cc(O)ccc3OCC1C2OCCN1CCC;
	InChI InChI=1S/C14H19NO3/c1-2-5-15-9-17-7-12-11-6-10(16)3-4-14(11)18-8-13(12)15/h3-4,6,12-13,16H,2,5,7-9H2,1H3/t12-,13-/m1/s1 ; Key:ZFSOBPVEIKTNQS-CHWSQXEVSA-N ;

PD-128,907（3,4,4a,10b-四氢-4-丙基-2H,5H-[1]苯并吡喃并[4,3-b]-1,4-噁嗪-9-酚），分子式C₁₄H₁₉NO₃，是一种用于科研的多巴胺受體D₂和D₃ 激动剂^[1]。其合成已有文献报道。^[2]

参考文献

^ DeWald HA, Heffner TG, Jaen JC, Lustgarten DM, McPhail AT, Meltzer LT, et al. Synthesis and dopamine agonist properties of (+-)-trans-3,4,4a,10b-tetrahydro-4-propyl-2H,5H-[1]benzopyrano [4,3-b]-1,4-oxazin-9-ol and its enantiomers. Journal of Medicinal Chemistry. January 1990, 33 (1): 445–50. PMID 1967318. doi:10.1021/jm00163a068.
^ Battiti, Francisco O.; Newman, Amy Hauck; Bonifazi, Alessandro. Exception That Proves the Rule: Investigation of Privileged Stereochemistry in Designing Dopamine D₃R Bitopic Agonists. ACS Medicinal Chemistry Letters (American Chemical Society (ACS)). 2020-02-28, 11 (10): 1956–1964. ISSN 1948-5875. doi:10.1021/acsmedchemlett.9b00660.

识别信息

IUPAC命名法 (4aR,10bR)-3,4a,4,10b-tetrahydro-4-propyl-2H,5H-[1]benzopyrano-[4,3-b]-1,4-oxazin-9-ol
CAS号	123594-64-9 ^Y 300576-59-4（盐酸盐）
PubChem CID	5311346
ChemSpider	23180492^N
ChEMBL	ChEMBL94015^N
CompTox Dashboard（英语：CompTox Chemicals Dashboard） (EPA)	DTXSID301018037
化学信息
化学式	C₁₄H₁₉NO₃
摩尔质量	249.31 g·mol⁻¹
3D模型（JSmol（英语：JSmol））	交互式图像
SMILES c23cc(O)ccc3OCC1C2OCCN1CCC
InChI InChI=1S/C14H19NO3/c1-2-5-15-9-17-7-12-11-6-10(16)3-4-14(11)18-8-13(12)15/h3-4,6,12-13,16H,2,5,7-9H2,1H3/t12-,13-/m1/s1^N Key:ZFSOBPVEIKTNQS-CHWSQXEVSA-N^N