Biology:Ozogamicin

Ozogamicin
Identifiers
	IUPAC name methyl(1R,4Z,8S,13E )-13-[2-[[2-[[[p-(3-carbamoylpropoxy)-α-methylbenzylidene]hydrazino]carbonyl]-1,1-dimethylethyl]dithio]ethylidene]-8-[[4,6-dideoxy-4-[[[2,6-dideoxy-4-S-[4-[(6-deoxy-3-O-methyl-α-L-mannopyranosyl)oxy]-3-iodo-5,6-dimethoxy-o-toluoyl]-4-thio-β-D-ribo-hexopyranosyl]oxy]amino]-2-O-[2,4-dideoxy-4-(N-ethylacetamido)-3-O-methyl-α-L-threo-pentopyranosyl]-β-D-glucopyranosyl]oxy]-1-hydroxy-11-oxobicyclo[7.3.1]trideca-4,9-diene-2,6-diyne-10-carbamate ;
CAS Number	400046-53-9;
UNII	EDM24GA51F;
Chemical and physical data
Formula	C73H97IN6O25S3
Molar mass	1681.68 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES CCN(C1COC(CC1OC)OC2C(C(C(OC2OC3C#CC=CC#CC4(CC(=O)C(=C3C4=CCSSC(C)(C)CC(=O)NN=C(C)C5=CC=C(C=C5)OCCCC(=O)N)NC(=O)OC)O)C)NOC6CC(C(C(O6)C)SC(=O)C7=C(C(=C(C(=C7OC)OC)OC8C(C(C(C(O8)C)O)OC)O)I)C)O)O)C(=O)C;
	InChI InChI=1S/C73H97IN6O25S3/c1-15-80(41(7)81)45-35-98-52(32-49(45)92-10)103-65-60(87)57(79-105-53-31-46(82)67(40(6)99-53)107-68(89)54-36(2)56(74)63(66(95-13)62(54)93-11)104-69-61(88)64(94-12)59(86)39(5)101-69)38(4)100-70(65)102-48-21-18-16-17-19-28-73(91)33-47(83)58(76-71(90)96-14)55(48)44(73)27-30-106-108-72(8,9)34-51(85)78-77-37(3)42-23-25-43(26-24-42)97-29-20-22-50(75)84/h16-17,23-27,38-40,45-46,48-49,52-53,57,59-61,64-65,67,69-70,79,82,86-88,91H,15,20,22,29-35H2,1-14H3,(H2,75,84)(H,76,90)(H,78,85)/b17-16-,44-27+,77-37+/t38-,39+,40-,45+,46+,48+,49+,52+,53+,57-,59+,60+,61-,64-,65-,67-,69+,70+,73+/m1/s1; Key:HNMATTJJEPZZMM-BPKVFSPJSA-N;

Short description: Complex antibody-drug conjugate

The term ozogamicin in the names of monoclonal antibodies or antibody-drug conjugates indicates that they are linked to a cytotoxic agent from the class of calicheamicins.^[2]

References

↑ "マイロターグ点滴静注用5mg インタビューフォーム" (in Japanese). https://www.info.pmda.go.jp/go/interview/3/672212_4239400D1030_3_1F.pdf. Retrieved 2021-12-28.
↑ "The clinical development of antibody-drug conjugates - lessons from leukaemia". Nature Reviews. Clinical Oncology 18 (7): 418–433. July 2021. doi:10.1038/s41571-021-00484-2. PMID 33758376.

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Original source: https://en.wikipedia.org/wiki/Ozogamicin. Read more

[1] "マイロターグ点滴静注用5mg インタビューフォーム" (in Japanese). https://www.info.pmda.go.jp/go/interview/3/672212_4239400D1030_3_1F.pdf. Retrieved 2021-12-28.

[Jabbour_2021-2] "The clinical development of antibody-drug conjugates - lessons from leukaemia". Nature Reviews. Clinical Oncology 18 (7): 418–433. July 2021. doi:10.1038/s41571-021-00484-2. PMID 33758376.

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Identifiers

IUPAC name methyl(1R,4Z,8S,13E )-13-[2-[[2-[[[p-(3-carbamoylpropoxy)-α-methylbenzylidene]hydrazino]carbonyl]-1,1-dimethylethyl]dithio]ethylidene]-8-[[4,6-dideoxy-4-[[[2,6-dideoxy-4-S-[4-[(6-deoxy-3-O-methyl-α-L-mannopyranosyl)oxy]-3-iodo-5,6-dimethoxy-o-toluoyl]-4-thio-β-D-ribo-hexopyranosyl]oxy]amino]-2-O-[2,4-dideoxy-4-(N-ethylacetamido)-3-O-methyl-α-L-threo-pentopyranosyl]-β-D-glucopyranosyl]oxy]-1-hydroxy-11-oxobicyclo[7.3.1]trideca-4,9-diene-2,6-diyne-10-carbamate ^[1]^:5
CAS Number	400046-53-9
UNII	EDM24GA51F
Chemical and physical data
Formula	C₇₃H₉₇IN₆O₂₅S₃
Molar mass	1681.68 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES CCN(C1COC(CC1OC)OC2C(C(C(OC2OC3C#CC=CC#CC4(CC(=O)C(=C3C4=CCSSC(C)(C)CC(=O)NN=C(C)C5=CC=C(C=C5)OCCCC(=O)N)NC(=O)OC)O)C)NOC6CC(C(C(O6)C)SC(=O)C7=C(C(=C(C(=C7OC)OC)OC8C(C(C(C(O8)C)O)OC)O)I)C)O)O)C(=O)C
InChI InChI=1S/C73H97IN6O25S3/c1-15-80(41(7)81)45-35-98-52(32-49(45)92-10)103-65-60(87)57(79-105-53-31-46(82)67(40(6)99-53)107-68(89)54-36(2)56(74)63(66(95-13)62(54)93-11)104-69-61(88)64(94-12)59(86)39(5)101-69)38(4)100-70(65)102-48-21-18-16-17-19-28-73(91)33-47(83)58(76-71(90)96-14)55(48)44(73)27-30-106-108-72(8,9)34-51(85)78-77-37(3)42-23-25-43(26-24-42)97-29-20-22-50(75)84/h16-17,23-27,38-40,45-46,48-49,52-53,57,59-61,64-65,67,69-70,79,82,86-88,91H,15,20,22,29-35H2,1-14H3,(H2,75,84)(H,76,90)(H,78,85)/b17-16-,44-27+,77-37+/t38-,39+,40-,45+,46+,48+,49+,52+,53+,57-,59+,60+,61-,64-,65-,67-,69+,70+,73+/m1/s1 Key:HNMATTJJEPZZMM-BPKVFSPJSA-N

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