Tautomycin

CAT: 0013-GTR19227445-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19227445-02Size:25 mg

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Description

Tautomycin is a highly potent and specific inhibitor of protein phosphatases 1 and 2A (PP1 and PP2A), isolated from Streptomyces verticillatus. This antifungal antibiotic is widely used in biochemical research to study cellular signaling pathways, particularly in investigations of cell cycle regulation and apoptosis in both in vitro and in vivo models.

CAS Number

109946-35-2

Smiles

[C@H] (CC[C@@H] ([C@@H] (C (C[C@H] ([C@@H] ([C@H] (OC (C[C@@H] (O) C1=C (C) C (=O) OC1=O) =O) C (C) C) OC) O) =O) C) O) (C) [C@@]2 (O[C@@]3 (O[C@@H] (CC[C@@H] (C (C) =O) C) [C@H] (C) CC3) CC[C@@H]2C) [H]

Molecular Formula

C41H66O13

Molecular Weight

766.95

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Tautomycin

Tautomycin is a carboxylic ester.

CAS Number	109946-35-2
PubChem CID	440646
IUPAC Name	[(3R,4R,5R,8S,9S,12R)-12-[(2S,3S,6R,8S,9R)-3,9-dimethyl-8-[(3S)-3-methyl-4-oxopentyl]-1,7-dioxaspiro[5.5]undecan-2-yl]-5,9-dihydroxy-4-methoxy-2,8-dimethyl-7-oxotridecan-3-yl] (3R)-3-hydroxy-3-(4-methyl-2,5-dioxofuran-3-yl)propanoate
Molecular Formula	C41H66O13
Molecular Weight	767.0
XLogP	4.9
Topological Polar Surface Area	192
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	21
Heavy Atom Count	54
Formal Charge	0
Complexity	1360

SMILES

C[C@@H]1CC[C@@]2(CC[C@@H]([C@@H](O2)[C@H](C)CC[C@@H]([C@H](C)C(=O)C[C@H]([C@H]([C@@H](C(C)C)OC(=O)C[C@H](C3=C(C(=O)OC3=O)C)O)OC)O)O)C)O[C@H]1CC[C@H](C)C(=O)C

InChI

InChI=1S/C41H66O13/c1-21(2)36(51-34(47)20-31(45)35-27(8)39(48)52-40(35)49)38(50-10)32(46)19-30(44)26(7)29(43)13-11-24(5)37-25(6)16-18-41(54-37)17-15-23(4)33(53-41)14-12-22(3)28(9)42/h21-26,29,31-33,36-38,43,45-46H,11-20H2,1-10H3/t22-,23+,24+,25-,26-,29-,31+,32+,33-,36+,37-,38+,41+/m0/s1

InChIKey

RFCWHQNNCOJYTR-IRCAEPKSSA-N

Chemical Structure

2D Structure

CAS: 109946-35-2

CID: 440646

Formula: C41H66O13

MW: 767.0

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	767.0
XLogP3	4.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	21
Exact Mass	766.45034216
Monoisotopic Mass	766.45034216
Topological Polar Surface Area	192 Å²
Heavy Atom Count	54
Formal Charge	0
Complexity	1360
Isotope Atom Count	0
Defined Atom Stereocenter Count	13
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
GTR19215585	Tautomycetin

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Catalog	Name
B1237-10	Tautomycin
466862	Tautomycin discontinued

Tautomycin

Chemical Information

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