Epothilones and analogues

Description:

Macrolides consisting of a 16-member lactone ring conjugated at the carbon 16 with a 1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl group. Some epothilone analogues containing a lactam ring instead of the lactone ring.

Ancestors:

Organic compounds ⮕ Phenylpropanoids and polyketides ⮕ Macrolides and analogues ⮕ Epothilones and analogues

Popular Products

21-Aminoepothilone B
CAS: 280578-49-6 Formula: C₂₇H₄₂N₂O₆S Molecular Weight: 522.700

≥99%

Out of Stock Item #: A1020204

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Technical Identifiers

IUPAC Name

(1S,3S,7S,10R,11S,12S,16R)-3-[(E)-1-[2-(aminomethyl)-1,3-thiazol-4-yl]prop-1-en-2-yl]-7,11-dihydroxy-8,8,10,12,16-pentamethyl-4,17-dioxabicyclo[14.1.0show more

SMILES

C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)CN)/C)C

InChIKey
PFJFPBDHCFMQPN-RGJAOAFDSA-N

InChI

1S/C27H42N2O6S/c1-15-8-7-9-27(6)21(35-27)11-19(16(2)10-18-14-36-22(13-28)29-18)34-23(31)12-20(30)26(4,5)25(33)17(3)24(15)32/h10,14-15,17,19-21,24,30,3show more
Epothilone F
CAS: 208518-52-9 PubChem CID: 9914741 Formula: C₂₇H₄₁NO₇S Molecular Weight: 523.68

≥99%

Out of Stock Item #: E1326261

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Technical Identifiers

IUPAC Name

(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-3-[(E)-1-[2-(hydroxymethyl)-1,3-thiazol-4-yl]prop-1-en-2-yl]-8,8,10,12,16-pentamethyl-4,17-dioxabicyclo[14.1show more

SMILES

CC1CCCC2(C(O2)CC(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC3=CSC(=N3)CO)C)C

InChIKey
UKIMCRYGLFQEOE-RGJAOAFDSA-N

InChI

1S/C27H41NO7S/c1-15-8-7-9-27(6)21(35-27)11-19(16(2)10-18-14-36-22(13-29)28-18)34-23(31)12-20(30)26(4,5)25(33)17(3)24(15)32/h10,14-15,17,19-21,24,29-30show more
Ixabepilone
CAS: 219989-84-1 EC Number: 630-424-7 Formula: C₂₇H₄₂N₂O₅S Molecular Weight: 506.70

Solid Moligand™ ? ≥98%

Out of Stock Item #: I769896

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Technical Identifiers

IUPAC Name

(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-17-oxa-4-azabicyclo[14.1.0]heptshow more

SMILES

CC1CCCC2(C(O2)CC(NC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC3=CSC(=N3)C)C)C

InChIKey
FABUFPQFXZVHFB-PVYNADRNSA-N

InChI

1S/C27H42N2O5S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)29-23(31)13-21(30)26(5,6)25(33)17(3)24(15)32/h11,14-15,17,20-22,24,30,32H,show more

Synonyms
BMS-247550 | Aza-epothilone B | Ixempra | BMS 247550 | Azaepothilone B | (1S,3S,7S,10R,11S,12S,16R)-7,11-Dihydroxy-8,...
Epothilone D
CAS: 189453-10-9 Formula: C₂₇H₄₁NO₅S Molecular Weight: 491.68

≥98%

In Stock Item #: E189063

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Technical Identifiers

IUPAC Name

(4S,7R,8S,9S,13Z,16S)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione

SMILES

CC1CCCC(=CCC(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC2=CSC(=N2)C)C)C

InChIKey
XOZIUKBZLSUILX-GIQCAXHBSA-N

InChI

1S/C27H41NO5S/c1-16-9-8-10-17(2)25(31)19(4)26(32)27(6,7)23(29)14-24(30)33-22(12-11-16)18(3)13-21-15-34-20(5)28-21/h11,13,15,17,19,22-23,25,29,31H,8-10show more

Synonyms
(4S,7R,8S,9S,13Z,16S)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-methyl-2-(2-methylthiazol-4-yl)vinyl]-1-oxacyclo...
Epothilone B
CAS: 152044-54-7 EC Number: 604-822-6 Formula: C₂₇H₄₁NO₆S Molecular Weight: 507.68

≥98%(HPLC)

In Stock Item #: E100865

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Technical Identifiers

IUPAC Name

(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,17-dioxabicyclo[14.1.0]heptadshow more

SMILES

CC1CCCC2(C(O2)CC(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC3=CSC(=N3)C)C)C

InChIKey
QXRSDHAAWVKZLJ-PVYNADRNSA-N

InChI

1S/C27H41NO6S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)33-23(30)13-21(29)26(5,6)25(32)17(3)24(15)31/h11,14-15,17,20-22,24,29,31H,8show more

Synonyms
Epothilone B, Synthetic | GNF-PF-193 | Patupilone (Epothilone B) | SCHEMBL3808 | (-)-Epothilone B | Q27093987 | EPO90...
Epothilone A
CAS: 152044-53-6 Formula: C₂₆H₃₉NO₆S Molecular Weight: 493.66

≥98%

In Stock Item #: E129776

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Technical Identifiers

IUPAC Name

(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12-tetramethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,17-dioxabicyclo[14.1.0]heptadecashow more

SMILES

CC1CCCC2C(O2)CC(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC3=CSC(=N3)C)C

InChIKey
HESCAJZNRMSMJG-KKQRBIROSA-N

InChI

1S/C26H39NO6S/c1-14-8-7-9-19-21(32-19)11-20(15(2)10-18-13-34-17(4)27-18)33-23(29)12-22(28)26(5,6)25(31)16(3)24(14)30/h10,13-14,16,19-22,24,28,30H,7-9,show more

Synonyms
HY-13503 | BCP9000654 | CHEBI:94722 | (1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12-tetramethyl-3-((E)-1-(2-met...

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