WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H462215
CAS#: 139047-55-5
Description: AT-112, also known as 2-PMDQ, is an α1-adrenoceptor antagonist and antihypertensive. Its antihypertensive action is mainly mediated by the blockade of the alpha 1-adrenoceptor. In in vitro study, the vasodilating effect of AT-112 on isolated thoracic aorta was endothelium-independent. AT-112 was found to be a potent alpha 1-adrenoceptor blocking agent in the rat thoracic aorta as revealed by its competitive antagonism of phenylephrine (pA2 = 9.82 +/- 0.19), but was found to have noncompetitive antagonism to 5-HT. The IC50 of ketanserin and AT-112 to phenylephrine were 27.8 nM and 0.36 nM, respectively, and to 5-HT were 5.73 nM and 0.44 microM, respectively.
Hodoodo Cat#: H462215
Name: AT-112
CAS#: 139047-55-5
Chemical Formula: C21H23N5O
Exact Mass: 361.19
Molecular Weight: 361.449
Elemental Analysis: C, 69.78; H, 6.41; N, 19.38; O, 4.43
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Synonym: 2-PMDQ; 2 PMDQ; 2PMDQ; AT-112; AT 112 AT112;
IUPAC/Chemical Name: 2-((4-phenylpiperazin-1-yl)methyl)-2,6-dihydroimidazo[1,2-c]quinazolin-5(3H)-one
InChi Key: ONSOQRPYFKDOEB-UHFFFAOYSA-N
InChi Code: InChI=1S/C21H23N5O/c27-21-23-19-9-5-4-8-18(19)20-22-16(15-26(20)21)14-24-10-12-25(13-11-24)17-6-2-1-3-7-17/h1-9,16H,10-15H2,(H,23,27)
SMILES Code: O=C(N1C2=NC(CN3CCN(C4=CC=CC=C4)CC3)C1)NC5=C2C=CC=C5
Appearance: Solid powder
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: Soluble in DMSO
Shelf Life: >3 years if stored properly
Drug Formulation: This drug may be formulated in DMSO
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
More Info:
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The following data is based on the product molecular weight 361.45 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
|---|---|---|---|
| 1 mM | 1.15 mL | 5.76 mL | 11.51 mL |
| 5 mM | 0.23 mL | 1.15 mL | 2.3 mL |
| 10 mM | 0.12 mL | 0.58 mL | 1.15 mL |
| 50 mM | 0.02 mL | 0.12 mL | 0.23 mL |
| Formulation protocol: | |
| In vitro protocol: | |
| In vivo protocol: |
1: Chern JW, Tao PL, Yen MH, et al. Studies on quinazolines. 5. 2,3-dihydroimidazo[1,2-c]quinazoline derivatives: a novel class of potent and selective alpha 1-adrenoceptor antagonists and antihypertensive agents. J Med Chem. 1993;36(15):2196-2207. doi:10.1021/jm00067a017
2. Tseng CJ, Chen SY, Tao PL, Chern JW, Yen MH. Antihypertensive effects of AT-112, a newly synthesized quinazoline derivative, in spontaneously hypertensive rats. Proc Natl Sci Counc Repub China B. 1995 Jul;19(3):159-65. PMID: 7480362.
