Daurinoline

Catalog Number	ACM2831756
CAS Number	2831-75-6
Structure
Synonyms	Daurinoline B
Molecular Weight	610.7
InChI	InChI=1S/C37H42N2O6/c1-38-14-12-25-19-33(41)34(42-3)21-28(25)30(38)16-23-6-9-27(10-7-23)45-35-18-24(8-11-32(35)40)17-31-29-22-37(44-5)36(43-4)20-26(29)13-15-39(31)2/h6-11,18-22,30-31,40-41H,12-17H2,1-5H3/t30-,31-/m1/s1
InChI Key	APIHNXDZCYDPTF-FIRIVFDPSA-N
Melting Point	100-103 °C
Purity	90%+
Complexity	917
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Exact Mass	610.30428706
Heavy Atom Count	45
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
Isomeric SMILES	CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)C[C@@H]5C6=CC(=C(C=C6CCN5C)OC)OC)O)OC)O
Monoisotopic Mass	610.30428706
PhysicalState	Powder
Rotatable Bond Count	9
Topological Polar Surface Area	83.9 Ų

Custom Q&A

What is the chemical formula of Daurinoline?

The chemical formula of Daurinoline is C37H42N2O6.

What is the molecular weight of Daurinoline?

The molecular weight of Daurinoline is 610.74.

What is the CAS number of Daurinoline?

The CAS number of Daurinoline is 2831-75-6.

What is the melting point of Daurinoline?

The melting point of Daurinoline is 100-103℃.

What is the density of Daurinoline?

The density of Daurinoline is 1.218.

What is the primary usage of Daurinoline?

Daurinoline is primarily used as a natural alkaloid that displays anti-cancer activity.

What specific activity does Daurinoline display in terms of cancer cells?

Daurinoline acts as a DNA G-quadruplex stabilizer, halting tumor cell proliferation.

What are the synonyms of Daurinoline?

The synonyms of Daurinoline include Daurinoline B and (1R)-1,2,3,4-Tetrahydro-1-[[4-[2-hydroxy-5-[[(1R)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl]methyl]phenoxy]phenyl]methyl]-7-methoxy-2-methyl-6-isoquinolinol.

What is the specific chemical structure of Daurinoline?

The chemical structure of Daurinoline is described as methyl-7-methoxy-2-methyl- 1,2,3,4-tetrahydro-6-isoquinolinol.

What is the biological activity attributed to Daurinoline?

Daurinoline is known for its DNA G-quadruplex stabilizing properties, which contribute to its anti-cancer activity by halting tumor cell proliferation.

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