Structure of Ansamitocin P 3 CAS 66547 09 9 - Ansamitocin P-3 CAS 66547-09-9(66584-72-3)

Iden­ti­fi­ca­tion

CAS Number

66547-09-9(66584-72-3)

Name

Ansami­tocin P-3

Syn­onyms

(1S,2R,3R,5S,6S,16E,18E,20R,21S)-11-Chlor-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10(26),11,13,16,18-pentaen-6-yl-2-m eth­yl­propanoat [Ger­man] [ACD/IUPAC Name]
(1S,2R,3R,5S,6S,16E,18E,20R,21S)-11-Chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10(26),11,13,16,18-pentaen-6-yl 2- methyl­propanoate [ACD/IUPAC Name]
2-Méthyl­propanoate de (1S,2R,3R,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-diméthoxy-2,5,9,16-tétraméthyl-8,23-dioxo-4,24-dioxa-9,22-diazatétracyclo[19.3.1.110,14.03,5]hexacosa-10(26),11,13 ,16,18-pentaén-6-yle [French] [ACD/IUPAC Name]
66547-09-9 [RN]
66584-72-3 [RN]
Ansami­tocin P3
MFCD00274586
OQ2293000
Propanoic acid, 2-methyl-, (1S,2R,3R,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,1 4(26),16,18-pentaen-6-yl ester [ACD/​Index Name]
[66584-72-3]
Ansami­tocin P-3
May­tansi­noid AP-3

SMILES

C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@@H]1O4)C)OC(=O)C(C)C)C)\C)OC)(NC(=O)O2)O

Std­InChI

InChI=1S/C32H43ClN2O9/c1-17(2)29(37)43-25-15-26(36)35(6)21-13-20(14-22(40-7)27(21)33)12-18(3)10-9-11-24(41-8)32(39)16-23(42-30(38)34-32)19(4)28-31(25,5)44-28/h9-11,13-14,17,19,23-25,28,39H,12,15-16H2,1-8H3,(H,34,38)/b11-9+,18-10+/t19-,23+,24-,25+,28-,31+,32+/m1/s1

Std­InChIKey

OPQN­­CAR­IZFLNLF-KUDL­R­R­JM­SA-N

Mol­e­c­u­lar Formula

C32H43ClN2O9 

Mol­e­c­u­lar Weight

635.14 

MDL Number

MFCD00274586

Prop­er­ties

Appear­ance

White to almost white powder

Safe­ty Data

Sym­bol

exclamation mark jpg - Ansamitocin P-3 CAS 66547-09-9(66584-72-3)GHS07

Sig­nal Word

Warn­ing

Haz­ard statements

H302 + H332H315H319H335

Pre­cau­tion­ary Statements

P301 + P312 + P330P302 + P352P304 + P340 + P312P305 + P351P338

Tar­get organs 

Res­pi­ra­to­ry system

Per­son­al Pro­tec­tive Equipment

dust mask type N95 (US), Eye­shields, Gloves

RIDADR 

NONH for all modes of transport

WGK Germany

3

RTECS 

OQ2293000

MSDS Download

Spec­i­fi­ca­tions and Oth­er Infor­ma­tion of Our Ansami­tocin P-3 CAS 66547-09-9(66584-72-3)

Iden­ti­fi­ca­tion Methods

HNMR, HPLC

Puri­ty

99% min

Stor­age

Under 2°C, sealed and pro­tect­ed from light for long term

Known Appli­ca­tion

Ansamit­o­micin P-3 is an ansamacrolide and may­tan­sine ana­logue orig­i­nal­ly iso­lat­ed from the Ethiopi­an shrub Maytenus ser­ra­ta with anti­neo­plas­tic activ­i­ty. Ansamit­o­micin P-3 binds to tubu­lin at the may­­tan­­sine-bind­ing site, there­by inhibit­ing micro­tubule assem­bly, induc­ing micro­tubule dis­as­sem­bly, and dis­rupt­ing mito­sis. Used as a ADC (Anti­­body-Drug Con­ju­gate) excip­i­ent. Fun­gal metabo­lite with anti­neo­plas­tic, antim­i­tot­ic activ­i­ty. Binds to tubu­lin and inhibits vin­blas­­tine-induced spi­ral formation.

Gen­er­al View of Documents

HNMR 1 of Ansamitocin P 3 CAS 66547 09 9 - Ansamitocin P-3 CAS 66547-09-9(66584-72-3)
HNMR-1 of Ansami­tocin P-3 CAS 66547-09-9(66584-72-3)
HNMR 2 of Ansamitocin P 3 CAS 66547 09 9 - Ansamitocin P-3 CAS 66547-09-9(66584-72-3)
HNMR-2 of Ansami­tocin P-3 CAS 66547-09-9(66584-72-3)
HNMR 3 of Ansamitocin P 3 CAS 66547 09 9 - Ansamitocin P-3 CAS 66547-09-9(66584-72-3)
HNMR-3 of Ansami­tocin P-3 CAS 66547-09-9(66584-72-3)
HNMR 4 of Ansamitocin P 3 CAS 66547 09 9 - Ansamitocin P-3 CAS 66547-09-9(66584-72-3)
HNMR-4 of Ansami­tocin P-3 CAS 66547-09-9(66584-72-3)
HNMR 5 of Ansamitocin P 3 CAS 66547 09 9 - Ansamitocin P-3 CAS 66547-09-9(66584-72-3)
HNMR-5 of Ansami­tocin P-3 CAS 66547-09-9(66584-72-3)
HNMR 6 of Ansamitocin P 3 CAS 66547 09 9 - Ansamitocin P-3 CAS 66547-09-9(66584-72-3)
HNMR-6 of Ansami­tocin P-3 CAS 66547-09-9(66584-72-3)
HPLC of Ansamitocin P 3 CAS 66547 09 9 - Ansamitocin P-3 CAS 66547-09-9(66584-72-3)
HPLC of Ansami­tocin P-3 CAS 66547-09-9(66584-72-3)
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