![N1-[3-(Methylthio)propyl]bleomycinamide structure, CAS 41089-03-6](/structures/210000/194600_2_41089_03_6.png)
CAS Number41089-03-6
Synonyms[(2R,3S,4S,5R,6R)-2-[(2R,3S,4S,5S,6S)-2-[(1R)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[(2R,3S,4S)-3-hydroxy-5-[[(2S,3R)-3-hydroxy-1-[2-[4-[4-(3-methylsulfanylpropylcarbamoyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-1-oxobutan-2-yl]amino]-4-methyl-5-oxopentan-2-yl]amino]-1-(3H-imidazol-4-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate; [(2R,3S,4S,5R,6R)-2-[(2R,3S,4S,5S,6S)-2-[(1R)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxo-propyl]amino]-3-oxo-propyl]-5-methyl-pyrimidine-4-carbonyl]amino]-3-[[(1R,2S,3S)-2-hydroxy-4-[[(1S,2R)-2-hydroxy-1-[2-[4-[4-(3-methylsulfanylpropylcarbamoyl)thiazol-2-yl]thiazol-2-yl]ethylcarbamoyl]propyl]am
Molecular FormulaC54H81N17O21S3
Molecular Weight1400.52
Purity98.00%
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 41089-03-6 |
| Catalog No. | 2A-1193039 |
| Chinese Name | Demethyl bleomycin A2 |
| Synonyms | [(2R,3S,4S,5R,6R)-2-[(2R,3S,4S,5S,6S)-2-[(1R)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[(2R,3S,4S)-3-hydroxy-5-[[(2S,3R)-3-hydroxy-1-[2-[4-[4-(3-methylsulfanylpropylcarbamoyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-1-oxobutan-2-yl]amino]-4-methyl-5-oxopentan-2-yl]amino]-1-(3H-imidazol-4-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate; [(2R,3S,4S,5R,6R)-2-[(2R,3S,4S,5S,6S)-2-[(1R)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxo-propyl]amino]-3-oxo-propyl]-5-methyl-pyrimidine-4-carbonyl]amino]-3-[[(1R,2S,3S)-2-hydroxy-4-[[(1S,2R)-2-hydroxy-1-[2-[4-[4-(3-methylsulfanylpropylcarbamoyl)thiazol-2-yl]thiazol-2-yl]ethylcarbamoyl]propyl]am |
| Molecular Formula | C54H81N17O21S3 |
| Molecular Weight | 1400.52 |
| Purity | 98.00 |
| Application | Desmethylbleomycin A2 is a homologue of bleomycin (HY-108345). DNA cleavage by desmethylbleomycin A2 is insensitive to the presence of 5-methylcytidine (HY-113135) [1]. |
| PubChem ID | 39474067 |
| SMILES | CSCCCNC(=O)c1csc(-c2csc(CCNC(=O)C(NC(=O)C(C)C(O)C(C)NC(=O)C(NC(=O)c3nc(C(CC(N)=O)NCC(N)C(N)=O)nc(N)c3C)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(OC(N)=O)C3O)c3cnc[nH]3)C(C)O)n2)n1 |
| InChI | InChI=1S/C54H81N17O21S3/c1-19-32(68-45(71-43(19)57)24(11-30(56)75)63-12-23(55)44(58)81)49(85)70-34(40(25-13-60-18-64-25)90-53-42(38(79)36(77)28(14-72)89-53)91-52-39(80)41(92-54(59)87)37(78)29(15-73)88-52)50(86)65-21(3)35(76)20(2)46(82)69-33(22(4)74)48(84)62-9-7-31-66-27(17-94-31)51-67-26(16-95-51)47(83)61-8-6-10-93-5/h13,16-18,20-24,28-29,33-42,52-53,63,72-74,76-80H,6-12,14-15,55H2,1-5H3,(H2,56,75)(H2,58,81)(H2,59,87)(H,60,64)(H,61,83)(H,62,84)(H,65,86)(H,69,82)(H,70,85)(H2,57,68,71)/t20-,21+,22+,23-,24-,28-,29+,33-,34?,35-,36+,37+,38-,39-,40-,41-,42-,52+,53-/m0/s1 |
| InChI Key | FWTQNWDTHLXHFI-UFIMUECKSA-N |
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