Ancitabine

CAT: 0931-T21161-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0931-T21161-02Size:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

31698-14-3

Target

Others, DNA/RNA Synthesis, Apoptosis, Autophagy, Virus Protease

Related Pathways

Autophagy, Others, Cell Cycle/Checkpoint, DNA Damage/DNA Repair, Apoptosis, Microbiology/Virology

Purity

0.9991

Bioactivity

Ancitabine is an antitumour drug that improves Hailey-Hailey disease-related phenotypes in yeast models. It is metabolised to cytarabine in vivo and inhibits DNA synthesis, primarily used for treating acute leukaemia.

Smiles

O[C@H]1[C@]2([C@](N3C(O2)=NC(=N)C=C3)(O[C@@H]1CO)[H])[H]

Molecular Formula

C9H11N3O4

Molecular Weight

225.2

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Ancitabine

Ancitabine is an organic heterotricyclic compound resulting from the formal condensation of the oxo group of cytidine to the 2' position with loss of water to give the corresponding cyclic ether. A prodrug, it is metabolised to the antineoplastic agent cytarabine, so is used to maintain a more constant antineoplastic action. It has a role as an antimetabolite, an antineoplastic agent and a prodrug. It is a diol and an organic heterotricyclic compound. It is a conjugate base of an ancitabine(1+).

CAS Number	31698-14-3
PubChem CID	25051
IUPAC Name	(2R,4R,5R,6S)-4-(hydroxymethyl)-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-5-ol
Molecular Formula	C9H11N3O4
Molecular Weight	225.20
XLogP	-2.4
Topological Polar Surface Area	98.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	16
Formal Charge	0
Complexity	394

SMILES

C1=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)OC2=NC1=N

InChI

InChI=1S/C9H11N3O4/c10-5-1-2-12-8-7(16-9(12)11-5)6(14)4(3-13)15-8/h1-2,4,6-8,10,13-14H,3H2/t4-,6-,7+,8-/m1/s1

InChIKey

BBDAGFIXKZCXAH-CCXZUQQUSA-N

Chemical Structure

2D Structure

CAS: 31698-14-3

CID: 25051

Formula: C9H11N3O4

MW: 225.20

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	225.20
XLogP3	-2.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	225.07495584
Monoisotopic Mass	225.07495584
Topological Polar Surface Area	98.4 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	394
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
HY-N0093A	Ancitabine
441540-01	Ancitabine Hydrochloride
HY-N0093-01	Ancitabine (hydrochloride)
540094	Ancitabine HCl
RM-A140306-01	Ancitabine Impurity 6
HY-N0093R-01	Ancitabine (hydrochloride) (Standard)
RM-A140304-01	Ancitabine Impurity 4
RM-A140302-01	Ancitabine Impurity 2
RM-A140305-01	Ancitabine Impurity 5
RM-A140301-01	Ancitabine Impurity 1

Ancitabine

Chemical Information

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