Rubitecan

Catalog Number	ACM91421420
CAS Number	91421-42-0
Structure
Description	Rubitecan (RFS 2000), a Camptothecin derivative, is an orally active topoisomerase I inhibitor with broad antitumor activity, and induces protein-linked DNA single-strand breaks, thereby blocking DNA and RNA synthesis in dividing cells.
Synonyms	9-Nitrocamptothecin
Molecular Weight	393.3
Molecular Formula	C20H15N3O6
Canonical SMILES	O=C1[C@](O)(CC)C2=C(CO1)C(N3CC4=CC5=C([N+]([O-])=O)C=CC=C5N=C4C3=C2)=O
InChI	InChI=1S/C20H15N3O6/c1-2-20(26)13-7-16-17-10(8-22(16)18(24)12(13)9-29-19(20)25)6-11-14(21-17)4-3-5-15(11)23(27)28/h3-7,26H,2,8-9H2,1H3/t20-/m0/s1
InChI Key	VHXNKPBCCMUMSW-FQEVSTJZSA-N
Melting Point	182-186 °C
Purity	98%+
Appearance	Solid
Storage	Powder-20°C, 3 years; 4°C, 2 years; In solvent-80°C, 6 months; -20°C, 1 month.
Complexity	861
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Exact Mass	393.09608521
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isomeric SMILES	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC=C5[N+](=O)[O-])N=C4C3=C2)O
Monoisotopic Mass	393.09608521
PhysicalState	Powder
Rotatable Bond Count	1
Topological Polar Surface Area	126

Custom Q&A

What are some synonyms for Rubitecan?

RFS 2000
9-Nitrocellulose camptothecine
9-NITRO-CPT
9-NITRO-20(S)-CAMPTOTHECIN
RUBETICAN
RUBITECAN
Orathecin

What is the CAS number for Rubitecan?

91421-42-0

What is the molecular formula of Rubitecan?

C20H15N3O6

What is the melting point of Rubitecan?

182-186°C

In what form does Rubitecan exist?

Solid

How does Rubitecan target cancer cells?

It selectively targets the critical S-stage of cellular reproduction, particularly in acidic environments, relaxing DNA supercoiling and generating lethal breaks in the DNA.

Why has Rubitecan not been approved for clinical use?

Due to insolubility, its biological delivery mechanism is not yet effective.

What is the chemical property of Rubitecan?

Yellow Amorphous Powder

What is Rubitecan used for?

It is a semisynthetic camptothecin which inhibits DNA topoisomerase I and is a prodrug of 9-aminocamptothecin, used as an antineoplastic.

In what type of cancer did Rubitecan reduce tumor growth in a mouse xenograft model?

U937 leukemia

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