CAS Number65673-63-4
SynonymsEthyl (4R)-2-amino-6-bromo-4-[(1R)-1-cyano-2-ethoxy-2-oxoethyl]-4H-chromene-3-carboxylate; Ethyl 2-amino-6-bromo-4-(1-cyano-2-ethoxy-2-oxoethyl)-4H-chromene-3-carboxylate; S1071_Selleck; 4H-1-Benzopyran-4-acetic acid, 2-amino-6-bromo-α-cyano-3-(ethoxycarbonyl)-, ethyl ester; HA 14-1; HA14-1
Molecular FormulaC17H17BrN2O5
Molecular Weight409.231
Density1.5±0.1 g/cm3
Boiling Point535.1±50.0 °C at 760 mmHg
Melting Point105ºC
Appearancepowder
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 65673-63-4 |
| Catalog No. | 2A-1170404 |
| Chinese Name | 乙基-2-氨基-6-溴-4-(1-氰基-2-乙氧基-2-甲酰)-4H-苯并呋喃-3-羧酸 |
| Synonyms | Ethyl (4R)-2-amino-6-bromo-4-[(1R)-1-cyano-2-ethoxy-2-oxoethyl]-4H-chromene-3-carboxylate; Ethyl 2-amino-6-bromo-4-(1-cyano-2-ethoxy-2-oxoethyl)-4H-chromene-3-carboxylate; S1071_Selleck; 4H-1-Benzopyran-4-acetic acid, 2-amino-6-bromo-α-cyano-3-(ethoxycarbonyl)-, ethyl ester; HA 14-1; HA14-1 |
| Molecular Formula | C17H17BrN2O5 |
| Molecular Weight | 409.231 |
| Density | 1.5±0.1 g/cm3 |
| Boiling Point | 535.1±50.0 °C at 760 mmHg |
| Melting Point | 105ºC |
| Appearance | powder |
| Water Solubility | DMSO: 26 mg/mL |
| Storage Condition | −20°C |
| Application | HA14-1 is a Bcl-2/Bcl-xL antagonist. HA14-1 binds to a specific pocket on Bcl-2 with an IC50 of approximately 9 μM and inhibits Bcl-2 function. |
| HTC | 2932209090 |
| PubChem ID | 535600 |
| SMILES | CCOC(=O)C1=C(N)Oc2ccc(Br)cc2C1C(C#N)C(=O)OCC |
| InChI | InChI=1S/C17H17BrN2O5/c1-3-23-16(21)11(8-19)13-10-7-9(18)5-6-12(10)25-15(20)14(13)17(22)24-4-2/h5-7,11,13H,3-4,20H2,1-2H3/t11-,13+/m1/s1 |
| InChI Key | SXJDCULZDFWMJC-UHFFFAOYSA-N |
| Use of | Properties Name ethyl 2-amino-6-bromo-4-(1-cyano-2-ethoxy-2-oxoethyl)-4H-chromene-3-carboxylate Synonym More Synonyms HA14-1 Biological Activity Related Catalog Signaling Pathways >> Apoptosis >> Bcl-2 Family Research Areas >> Cancer Bcl-2:9 μM (IC50) References [1]. Wang JL, et al. Structure-based discovery of an organic compound that binds Bcl-2 protein and induces apoptosis of tumor cells. Proc Natl Acad Sci U S A. 2000 Jun 20;97(13):7124-9. [3]. Manero F, et al. The small organic compound HA14-1 prevents Bcl-2 interaction with Bax to sensitize malignant glioma cells to induction of cell death. Cancer Res. 2006 Mar 1;66(5):2757-64. Chemical & Physical Properties Molecular Formula C17H17BrN2O5 Exact Mass 408.032074 PSA 111.64000 Appearance of Characters powder Index of Refraction 1.574 InChIKey SXJDCULZDFWMJC-UHFFFAOYSA-N Safety Information Personal Protective Equipment Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter RIDADR NONH for all modes of transport WGK Germany 3 HS Code 2932209090 Synthetic Route Total: 1 Page Ethyl cyanoacetate CAS#:105-56-6 5-Bromosalicyla... CAS#:1761-61-1 CAS#:65673-63-4 Literature: Tetrahedron Letters, , vol. 46, # 20 p. 3497 - 3499 Precursor & DownStream Precursor 2 CAS#:105-56-6 Ethyl cyanoacetate CAS#:1761-61-1 5-Bromosalicyla... DownStream 0 |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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