AF-013

CAT: 0013-GTR19211290-01Size: 25 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0013-GTR19211290-01Size:25 mg

Selected

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

Quick Request Actions

Description

AF-013 is a semisynthetic rifamycin analog, the O-n-octyloxime derivative of 3-formylrifamycin SV, which functions by inhibiting nucleic acid polymerases. This compound is utilized in biochemical research to study polymerase mechanisms and has been applied in both in vitro enzymatic assays and in vivo experimental models to investigate transcriptional inhibition.

CAS Number

35225-13-9

Smiles

OC1=C2C3=C4OC (C) (C3=O) OC=CC (OC) C (C) C (OC (C) =O) C (C) C (O) C (C) C (O) C (C) C=CC=C (C) C (=O) NC (C (O) =C2C (O) =C4C) =C1C=NOCCCCCCCC

Molecular Formula

C46H64N2O13

Molecular Weight

853.01

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

AF 013

O-n-octyloxime of 3-formylrifamycin SV; inhibitor of nucleic acid polymerases

CAS Number	35225-13-9
PubChem CID	135438051
IUPAC Name	[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-[(E)-octoxyiminomethyl]-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate
Molecular Formula	C46H64N2O13
Molecular Weight	853.0
XLogP	8.4
Topological Polar Surface Area	223
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	12
Heavy Atom Count	61
Formal Charge	0
Complexity	1590

SMILES

CCCCCCCCO/N=C/C1=C2C(=C3C(=C1O)C4=C(C(=C3O)C)O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(\C(=O)N2)/C)C)O)C)O)C)OC(=O)C)C)OC)C)O

InChI

InChI=1S/C46H64N2O13/c1-11-12-13-14-15-16-21-59-47-23-31-36-41(54)34-33(40(31)53)35-43(29(7)39(34)52)61-46(9,44(35)55)58-22-20-32(57-10)26(4)42(60-30(8)49)28(6)38(51)27(5)37(50)24(2)18-17-19-25(3)45(56)48-36/h17-20,22-24,26-28,32,37-38,42,50-54H,11-16,21H2,1-10H3,(H,48,56)/b18-17+,22-20+,25-19-,47-23+/t24-,26+,27+,28+,32-,37-,38+,42+,46-/m0/s1

InChIKey

DTEDDHSJILGOKQ-POAHWZAMSA-N

Chemical Structure

2D Structure

CAS: 35225-13-9

CID: 135438051

Formula: C46H64N2O13

MW: 853.0

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	853.0
XLogP3	8.4
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	12
Exact Mass	852.44084010
Monoisotopic Mass	852.44084010
Topological Polar Surface Area	223 Å²
Heavy Atom Count	61
Formal Charge	0
Complexity	1590
Isotope Atom Count	0
Defined Atom Stereocenter Count	9
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	4
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
GTR19174396-01	JTE-013
GTR19157357-01	JTE-013
GTR19224981-01	SNIPER (ABL) -013
GTR19241838-01	AF-615
GTR19230990-01	AF-2112
GTR19219328	Soyasaponin Af
GTR19200578-01	AF-2785
GTR19195887-01	AF 698
GTR19195886-01	AF-398
GTR19262831-01	AF-45

Alternative Products

Catalog	Name
MBS5811933	AF-013
XWA75693-01	JTE 013
HY-100675-01	JTE-013
MBS579661	tak-013
HY-179572	STA-013

AF-013

Chemical Information

Related Products

Alternative Products

Popular Products